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645-56-7

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645-56-7 Usage

Chemical Properties

CLEAR YELLOW LIQUID

Occurrence

Reported found in rum, malt whiskey and malt.

Uses

Intermediates of Liquid Crystals

Application

4-Propylphenol can be used as pharmaceutical intermediates and organic synthesis intermediates, mainly for laboratory research and development processes.

Aroma threshold values

Detection: 500 ppb

Check Digit Verification of cas no

The CAS Registry Mumber 645-56-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 5 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 645-56:
(5*6)+(4*4)+(3*5)+(2*5)+(1*6)=77
77 % 10 = 7
So 645-56-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

645-56-7 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (A15342)  4-n-Propylphenol, 98%   

  • 645-56-7

  • 5g

  • 640.0CNY

  • Detail
  • Alfa Aesar

  • (A15342)  4-n-Propylphenol, 98%   

  • 645-56-7

  • 25g

  • 2281.0CNY

  • Detail
  • Alfa Aesar

  • (A15342)  4-n-Propylphenol, 98%   

  • 645-56-7

  • 100g

  • 8718.0CNY

  • Detail

645-56-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Propylphenol

1.2 Other means of identification

Product number -
Other names 3PO

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:645-56-7 SDS

645-56-7Synthetic route

4-hydroxypropiophenone
70-70-2

4-hydroxypropiophenone

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
palladium on activated charcoal In ethanol at 34℃; under 37503 Torr; for 0.833333h;90%
With palladium on activated charcoal; ethanol Hydrogenation;
With methanol; copper oxide-chromium oxide at 115 - 125℃; under 161812 - 176522 Torr; Hydrogenation;
2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With hydrogen; benzene at 350℃; under 67506.8 Torr; Reagent/catalyst; Pressure; Flow reactor;90%
With platinum on activated charcoal; hydrogen at 400℃; Reagent/catalyst;
With hydrogen In benzene at 350℃; under 67506.8 Torr; Reagent/catalyst;
With ruthenium-carbon composite; hydrogen In water at 250℃; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave;
4-allylguaiacol
97-53-0

4-allylguaiacol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

C

4-n-propylcyclohexanol
52204-65-6

4-n-propylcyclohexanol

Conditions
ConditionsYield
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 88.3%
B 5.8%
C 5.4%
With phosphoric acid; hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 8.7%
B 83.6%
C 7.7%
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 15.6%
B 38.8%
C 45.5%
4-allylguaiacol
97-53-0

4-allylguaiacol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

Conditions
ConditionsYield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 10.6%
B 80%
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Reagent/catalyst; Autoclave;A 19.9%
B 75.9%
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 52.5%
B 41.5%
With Pt/Al2O3; hydrogen In Hexadecane at 249.84℃; under 22502.3 Torr; for 6h;A 2 %Chromat.
B 92 %Chromat.
With hydrogen In Hexadecane at 249.84℃; under 22502.3 Torr; for 1h; Reagent/catalyst; Autoclave;A 8 %Chromat.
B 80 %Chromat.
(+/-)-1-(4-benzyloxyphenyl)prop-2-en-1-ol
470665-13-5

(+/-)-1-(4-benzyloxyphenyl)prop-2-en-1-ol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

4-hydroxy-α-ethylbenzylalcohol
22805-42-1

4-hydroxy-α-ethylbenzylalcohol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 10h;A n/a
B 77%
2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

3-n-propylphenol
621-27-2

3-n-propylphenol

Conditions
ConditionsYield
With hydrogen In decane; Hexadecane at 300℃; under 15001.5 Torr; for 4h; Reagent/catalyst; Pressure; Autoclave;A 11.7%
B 59.5%
4-allylguaiacol
97-53-0

4-allylguaiacol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

4-n-propylcyclohexanol
52204-65-6

4-n-propylcyclohexanol

Conditions
ConditionsYield
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 57.9%
B 22.7%
2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

Propylbenzene
103-65-1

Propylbenzene

C

2-methyl-4-propylphenol
18441-56-0

2-methyl-4-propylphenol

D

4-propyl-1,2-dimethoxybenzene
5888-52-8

4-propyl-1,2-dimethoxybenzene

Conditions
ConditionsYield
With hydrogen In toluene at 319.84℃; under 22502.3 Torr; for 2h; Reagent/catalyst;A 51%
B n/a
C n/a
D n/a
2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

Propylbenzene
103-65-1

Propylbenzene

Conditions
ConditionsYield
With hydrogen In benzene at 350℃; under 67506.8 Torr;A 45%
B 6%
4-allylguaiacol
97-53-0

4-allylguaiacol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2-methoxy-4-n-propylphenol
2785-87-7

2-methoxy-4-n-propylphenol

C

propylcyclohexane
1678-92-8

propylcyclohexane

D

4-propyl-cyclohexene
13487-64-4

4-propyl-cyclohexene

Conditions
ConditionsYield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 11.5%
B 30.1%
C 24.6%
D 24.9%
4-n-propylanisole
104-45-0

4-n-propylanisole

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With phosphorus; hydrogen iodide at 180℃;
With hydrogen bromide; acetic acid
4-propylaniline
2696-84-6

4-propylaniline

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
Diazotization;
4-Propenyl-phenol
539-12-8

4-Propenyl-phenol

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
nachfolgend Destillieren;
4-propylbenzenesulfonic acid
15592-74-2

4-propylbenzenesulfonic acid

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
bei der Kalischmelze;
propionaldehyde
123-38-6

propionaldehyde

phenol
108-95-2

phenol

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With hydrogenchloride; acetic acid at 20℃; Erhitzen des Reaktionsprodukts;
1,1-bis-(4-hydroxyphenyl)propane
1576-13-2

1,1-bis-(4-hydroxyphenyl)propane

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With hydrogenchloride at 100℃;
Multi-step reaction with 2 steps
1: bei der Destillation
View Scheme
1,1-bis-(4-hydroxyphenyl)propane
1576-13-2

1,1-bis-(4-hydroxyphenyl)propane

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

4-Propenyl-phenol
539-12-8

4-Propenyl-phenol

C

phenol
108-95-2

phenol

Conditions
ConditionsYield
bei der Destillation;
E-1-(4'-methoxyphenyl)prop-1-ene
4180-23-8

E-1-(4'-methoxyphenyl)prop-1-ene

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With nickel at 50℃; under 95616 Torr; Hydrogenation.Erhitzen des Reaktionsprodukts mit wss. HI in Eisessig und Acetanhydrid;
Multi-step reaction with 2 steps
1: palladium/barium sulfate; ethanol / Hydrogenation
2: glacial acetic acid; HBr
View Scheme
propan-1-ol
71-23-8

propan-1-ol

phenol
108-95-2

phenol

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With aluminium trichloride at 120 - 140℃;
propene
187737-37-7

propene

phenol
108-95-2

phenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

4-Isopropylphenol
99-89-8

4-Isopropylphenol

Conditions
ConditionsYield
With Fuller's Earth
With Fuller's Earth
p-cresol
106-44-5

p-cresol

Methoxy-methanesulfonic acid ethyl ester
64-67-5

Methoxy-methanesulfonic acid ethyl ester

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

1-ethoxy-4-methylbenzene
622-60-6

1-ethoxy-4-methylbenzene

C

4-propylethoxybenzene
101144-94-9

4-propylethoxybenzene

D

2-ethyl-4-methylethoxybenzene
101144-95-0

2-ethyl-4-methylethoxybenzene

Conditions
ConditionsYield
With n-butyllithium; potassium tert-butylate 1.) heptane, hexanee, reflux, 20 h, 2.) THF; Yield given. Multistep reaction. Yields of byproduct given;
With n-butyllithium; potassium tert-butylate 1.) heptane, hexane, reflux, 20 h, 2.) THF; Yield given. Multistep reaction. Yields of byproduct given;
5-propylphenol
644-35-9

5-propylphenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2,6-di-n-propylphenol
6626-32-0

2,6-di-n-propylphenol

C

2,4-di-propylphenol
23167-99-9

2,4-di-propylphenol

D

phenol
108-95-2

phenol

Conditions
ConditionsYield
Houdry HA-100 alumina In benzene at 300℃; Product distribution; Mechanism;
propoxybenzene
622-85-5

propoxybenzene

A

2-(1-methylethyl)phenol
88-69-7

2-(1-methylethyl)phenol

B

4-n-Propylphenol
645-56-7

4-n-Propylphenol

C

4-Isopropylphenol
99-89-8

4-Isopropylphenol

D

5-propylphenol
644-35-9

5-propylphenol

E

2,6-di-n-propylphenol
6626-32-0

2,6-di-n-propylphenol

F

phenol
108-95-2

phenol

Conditions
ConditionsYield
Houdry HA-100 alumina In benzene at 300℃; Product distribution; Mechanism; other temperatures;A 5.4 % Chromat.
B 2.0 % Chromat.
C 2.0 % Chromat.
D 9.0 % Chromat.
E 1.0 % Chromat.
F 51.7 % Chromat.
Propylbenzene
103-65-1

Propylbenzene

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With phosphate buffer; air; 1,4-dihydronicotinamide adenine dinucleotide at 45℃; methane mono-oxygenase from Methylococcus capsulatus (Bath); Yield given;
Stage #1: phenylpropane With C40H68F6MnN4O6S2Si2; acetic acid In 2,2,2-trifluoroethanol
Stage #2: With dihydrogen peroxide In 2,2,2-trifluoroethanol; water at 0℃; for 1h; chemoselective reaction;
9 %Chromat.
ethylmagnesium bromide
925-90-6

ethylmagnesium bromide

Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9
78507-15-0

Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
1.) 680 deg C, 5.1E-5 Torr, -196 deg C, tetrahydrofuranne; Multistep reaction;
4-propyl-4-bromo-2,5-cyclohexadienone
102260-54-8

4-propyl-4-bromo-2,5-cyclohexadienone

4-n-Propylphenol
645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With hydrogenchloride; potassium bromide at 25℃; Rate constant;
With hydrogenchloride; potassium bromide; phenol; alpha cyclodextrin In water at 25℃; Product distribution; Kinetics; Rate constant;
O-(4-propylphenyl)hydroxylamine

O-(4-propylphenyl)hydroxylamine

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2-Amino-4-propyl-phenol
55296-63-4

2-Amino-4-propyl-phenol

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane at -15℃; for 4h; Product distribution; Rate constant; Kinetics; ΔH(excit.), ΔG(excit.), ΔS(excit.);
O-(4-propylphenyl)hydroxylamine

O-(4-propylphenyl)hydroxylamine

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

N-(2-hydroxy-5-propylphenyl)trifluoroacetamide

N-(2-hydroxy-5-propylphenyl)trifluoroacetamide

Conditions
ConditionsYield
With trifluoroacetic acid 1.) CH2Cl2, -20 deg C, 6 h, 2.) CH2Cl2, -20 deg C, 2 h; Yield given. Multistep reaction. Yields of byproduct given;
propan-1-ol
71-23-8

propan-1-ol

phenol
108-95-2

phenol

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

5-propylphenol
644-35-9

5-propylphenol

C

propoxybenzene
622-85-5

propoxybenzene

D

2,6-di-n-propylphenol
6626-32-0

2,6-di-n-propylphenol

E

2-(1-methylethyl)-6-propylphenol
74663-48-2

2-(1-methylethyl)-6-propylphenol

F

n-Propyl 2-n-propylphenyl ether
74663-45-9

n-Propyl 2-n-propylphenyl ether

Conditions
ConditionsYield
aluminum oxide at 250℃; Product distribution; Mechanism; other temperatures, other catalysts;A 1.4 % Chromat.
B 3.1 % Chromat.
C 5.8 % Chromat.
D 49.5 % Chromat.
E 9.2 % Chromat.
F 6.5 % Chromat.
O-(4-propylphenyl) (tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate anion

O-(4-propylphenyl) (tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate anion

A

4-n-Propylphenol
645-56-7

4-n-Propylphenol

B

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate
14152-97-7

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

Conditions
ConditionsYield
With water In 1,4-dioxane at 20℃; Rate constant; Kinetics; Thermodynamic data; EA, ΔH<*>, ΔS<*>, ΔG<*>; var. temp., var. pH;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

3-methoxycarbonylbenzyl bromide
1129-28-8

3-methoxycarbonylbenzyl bromide

methyl 3-(4-propylphenoxymethyl)benzoate
225942-71-2

methyl 3-(4-propylphenoxymethyl)benzoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;100%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

N,N-Dimethylcarbamoyl chloride
79-44-7

N,N-Dimethylcarbamoyl chloride

4-propylphenyl dimethylcarbamate
92310-68-4

4-propylphenyl dimethylcarbamate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 8h; Sealed tube; Reflux;100%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

1-(fluoromethoxy)-4-propylbenzene

1-(fluoromethoxy)-4-propylbenzene

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 40℃; for 0.5h; Schlenk technique; Inert atmosphere;99%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

R-(+)-2-bromopropionic acid
10009-70-8

R-(+)-2-bromopropionic acid

(R)-2-(4-propyl-phenoxy)-propanoic acid

(R)-2-(4-propyl-phenoxy)-propanoic acid

Conditions
ConditionsYield
Stage #1: 4-n-Propylphenol; R-(+)-2-bromopropionic acid With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 5h;
Stage #2: With sodium hydroxide In tetrahydrofuran; mineral oil at 20℃; for 1h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; mineral oil pH=1;
94%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

ethyl bromoacetate
105-36-2

ethyl bromoacetate

2-(4-propylphenoxy)acetic acid
7507-32-6

2-(4-propylphenoxy)acetic acid

Conditions
ConditionsYield
Stage #1: 4-n-Propylphenol; ethyl bromoacetate With potassium carbonate In acetone for 12h; Reflux;
Stage #2: With ethanol; sodium hydroxide for 6h; Reflux;
93%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

2-nitro-4-propylphenol
6343-48-2

2-nitro-4-propylphenol

Conditions
ConditionsYield
With nitric acid; ferric nitrate In water at 20 - 25℃; for 2h;92.2%
With nitric acid; acetic acid at 10℃; for 0.5h;74%
With nitric acid; benzene at 15 - 20℃;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

triethylsilyl chloride
994-30-9

triethylsilyl chloride

triethyl(4-propylphenoxy)silane

triethyl(4-propylphenoxy)silane

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; Inert atmosphere;92%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

tert-butyl (2-(2-chloro-N-isopropylacetamido)ethyl)carbamate

tert-butyl (2-(2-chloro-N-isopropylacetamido)ethyl)carbamate

tert-butyl (2-(N-isopropyl-2-(4-propylphenoxy)acetamido)ethyl)carbamate

tert-butyl (2-(N-isopropyl-2-(4-propylphenoxy)acetamido)ethyl)carbamate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 0℃; for 2h; Reflux; Inert atmosphere;92%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

5-chloropyrazine-2,3-dicarbonitrile
72111-57-0

5-chloropyrazine-2,3-dicarbonitrile

5-(4-Propyl-phenoxy)-pyrazine-2,3-dicarbonitrile

5-(4-Propyl-phenoxy)-pyrazine-2,3-dicarbonitrile

Conditions
ConditionsYield
With sodium hydroxide In water; acetone91%
2,6-Dibromopyridine
626-05-1

2,6-Dibromopyridine

4-n-Propylphenol
645-56-7

4-n-Propylphenol

2,6-bis(4-propylphenoxy)pyridine

2,6-bis(4-propylphenoxy)pyridine

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate In 1-methyl-pyrrolidin-2-one at 160℃; for 24h; Inert atmosphere; Schlenk technique;91%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

propargyl bromide
106-96-7

propargyl bromide

1-(prop-2-yn-1-yloxy)-4-propylbenzene

1-(prop-2-yn-1-yloxy)-4-propylbenzene

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux;90%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

3-isopropyl-6-methylhepta-2,5-dien-1-yl bromide
123499-13-8

3-isopropyl-6-methylhepta-2,5-dien-1-yl bromide

3-isopropyl-6-methyl-1-<(4-propylphenyl)oxy>hepta-2,5-diene
123499-27-4

3-isopropyl-6-methyl-1-<(4-propylphenyl)oxy>hepta-2,5-diene

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran for 18h; Ambient temperature;89%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

4-n-propylanisole
104-45-0

4-n-propylanisole

Conditions
ConditionsYield
With layered double hydroxide - supported L-methionine at 180℃; for 6h; Autoclave; chemoselective reaction;89%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

C12H22O2

C12H22O2

2-(4-propylcyclohexyl)-3-((4-propylphenoxy)methyl)oxirane

2-(4-propylcyclohexyl)-3-((4-propylphenoxy)methyl)oxirane

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 8h; Mitsunobu Displacement; Inert atmosphere;89%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

2,6-dibromo-4-propylphenol
61305-62-2

2,6-dibromo-4-propylphenol

Conditions
ConditionsYield
With bromine In dichloromethane at 0℃; for 2h;88%
With bromine In chloroform
4-n-Propylphenol
645-56-7

4-n-Propylphenol

5-Cyano-2-pentyl-[1,3]dioxane-5-carboxylic acid
104358-21-6

5-Cyano-2-pentyl-[1,3]dioxane-5-carboxylic acid

5-Cyano-2-pentyl-[1,3]dioxane-5-carboxylic acid 4-propyl-phenyl ester
124931-33-5

5-Cyano-2-pentyl-[1,3]dioxane-5-carboxylic acid 4-propyl-phenyl ester

Conditions
ConditionsYield
With dmap; 3-{[(ethylimino)methylene]-amino}-N,N,N-trimethyl-1-propanaminium iodide In dichloromethane Ambient temperature;87%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

ethyl N-(2-chloroacetyl)-N-isopropylglycinate
75154-80-2

ethyl N-(2-chloroacetyl)-N-isopropylglycinate

ethyl N-isopropyl-N-(2-(4-propylphenoxy)acetyl)glycinate

ethyl N-isopropyl-N-(2-(4-propylphenoxy)acetyl)glycinate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 0℃; for 2h; Reflux; Inert atmosphere;87%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

acryloyl chloride
814-68-6

acryloyl chloride

C12H14O2

C12H14O2

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 1h;85%
N-acetyl-3-methylindole
23543-66-0

N-acetyl-3-methylindole

4-n-Propylphenol
645-56-7

4-n-Propylphenol

A

C20H23NO2
1441174-25-9

C20H23NO2

B

C18H19NO2
1441173-84-7

C18H19NO2

Conditions
ConditionsYield
With iron(III) chloride In dichloromethane at 20℃; for 0.75h; Friedel-Crafts Alkylation; regioselective reaction;A 85%
B 12%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

propylcyclohexane
1678-92-8

propylcyclohexane

Conditions
ConditionsYield
With hydrogen at 280℃; under 15001.5 Torr; for 1h;84%
With hydrogen In water at 199.84℃; under 30003 Torr; for 0.5h;
With hydrogen In water at 299.84℃; under 30003 Torr; for 2h;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

acetyl chloride
75-36-5

acetyl chloride

4-propylphenyl acetate
61824-46-2

4-propylphenyl acetate

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃;83%
With tetrabutyl-ammonium chloride; sodium hydroxide In dichloromethane; water at 0℃; for 0.0833333h;63%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

(4S)-N-tert-butoxycarbonyl-4-[[(4'-methylbenzenesulfonyl)oxy]methyl]-2,2-dimethyl-1,3-oxazolidine
140645-28-9

(4S)-N-tert-butoxycarbonyl-4-[[(4'-methylbenzenesulfonyl)oxy]methyl]-2,2-dimethyl-1,3-oxazolidine

4(R)-2,2-dimethyl-4-((4-propylphenoxy)methyl)oxazolidine-3-carboxylic acid tert-butyl ester
935547-71-0

4(R)-2,2-dimethyl-4-((4-propylphenoxy)methyl)oxazolidine-3-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: 4-n-Propylphenol With sodium hydride In N,N-dimethyl-formamide at 20℃;
Stage #2: (4S)-N-tert-butoxycarbonyl-4-[[(4'-methylbenzenesulfonyl)oxy]methyl]-2,2-dimethyl-1,3-oxazolidine In N,N-dimethyl-formamide at 40℃; for 1h;
83%
With sodium hydride In N,N-dimethyl-formamide at 60 - 80℃;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

(S)-2-bromopropanoic acid
32644-15-8

(S)-2-bromopropanoic acid

(S)-2-(4-propyl-phenoxy)-propanoic acid
1010446-76-0

(S)-2-(4-propyl-phenoxy)-propanoic acid

Conditions
ConditionsYield
Stage #1: 4-n-Propylphenol; (S)-2-bromopropanoic acid With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 5h;
Stage #2: With sodium hydroxide In tetrahydrofuran; mineral oil at 20℃; for 1h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; mineral oil pH=1;
83%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

phenol
108-95-2

phenol

Conditions
ConditionsYield
With silica-alumina at 350℃; Reagent/catalyst;83%
With benzene at 350℃; for 2h; Reagent/catalyst; Temperature; Autoclave;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

2-bromo-4-propylphenol
64080-16-6

2-bromo-4-propylphenol

Conditions
ConditionsYield
With bromine; sodium hydrogencarbonate In chloroform at 0℃;82%
With bromine; sodium hydrogencarbonate In chloroform at 0℃;80%
With tetrachloromethane; bromine at 0℃;
With bromine In chloroform at 20℃; for 12h; Inert atmosphere;
With bromine; sodium hydrogencarbonate In chloroform at 0℃;
4-n-Propylphenol
645-56-7

4-n-Propylphenol

2,6-diiodo-4-propylphenol
189447-45-8

2,6-diiodo-4-propylphenol

Conditions
ConditionsYield
With iodine; potassium carbonate; potassium iodide In dichloromethane; water for 14h;82%
4-n-Propylphenol
645-56-7

4-n-Propylphenol

acetonitrile
75-05-8

acetonitrile

N-(4-oxo-1-propyl-cyclohexa-2,5-dienyl)-acetamide

N-(4-oxo-1-propyl-cyclohexa-2,5-dienyl)-acetamide

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene; trifluoroacetic acid at 20℃; for 0.166667h;82%
With [bis(acetoxy)iodo]benzene; trifluoroacetic acid at 20℃; for 0.166667h; Inert atmosphere;82%
With [bis(acetoxy)iodo]benzene; trifluoroacetic acid at 20℃; Inert atmosphere;82%
With 1,1,1,3',3',3'-hexafluoro-propanol; [bis(acetoxy)iodo]benzene at 15℃; for 0.333333h;54%
With [bis(acetoxy)iodo]benzene In various solvent(s) for 0.333333h;54%

645-56-7Relevant articles and documents

Controlled lignosulfonate depolymerization: Via solvothermal fragmentation coupled with catalytic hydrogenolysis/hydrogenation in a continuous flow reactor

Al-Naji, Majd,Antonietti, Markus,Brandi, Francesco

supporting information, p. 9894 - 9905 (2021/12/24)

Sodium lignosulfonate (LS) was valorized to low molecular weight (Mw) fractions by combining solvothermal (SF) and catalytic hydrogenolysis/hydrogenation fragmentation (SHF) in a continuous flow system. This was achieved in either alcohol/H2O (EtOH/H2O or MeOH/H2O) or H2O as a solvent and Ni on nitrogen-doped carbon as a catalyst. The tunability according to the temperature of both SF and catalytic SHF of LS has been separately investigated at 150 °C, 200 °C, and 250 °C. In SF, the minimal Mw was 2994 g mol-1 at 250 °C with a dispersity (?) of 5.3 using MeOH/H2O. In catalytic SHF using MeOH/H2O, extremely low Mw was found (433 mg gLS-1) with a ? of 1.2 combined with 34 mg gLS-1. The monomer yield was improved to 42 mg gLS-1 using dual catalytic beds. These results provide direct evidence that lignin is an unstable polymer at elevated temperatures and could be efficiently deconstructed under hydrothermal conditions with and without a catalyst. This journal is

Rational design of oligomeric MoO3 in SnO2 lattices for selective hydrodeoxygenation of lignin derivatives into monophenols

Diao, Xinyong,Ji, Na,Jia, Zhichao,Jiang, Sinan,Li, Tingting,Liu, Caixia,Liu, Qingling,Lu, Xuebin,Song, Chunfeng,Wang, Zhenjiao

, p. 234 - 251 (2021/08/19)

Novel Mo-Sn bimetallic oxide catalysts with highly dispersed oligomeric MoO3 in SnO2 lattices, which were synthesized by the co-precipitation method and pretreated by anhydrous ethanol, were first employed in the hydrodeoxygenation of various lignin derivatives to produce monophenols with high activity and selectivity. In comparison with the pure α-MoO3 and the previous reported catalysts, the α-2Mo1Sn exhibited superior activity in the hydrodeoxygenation of guaiacol, with full conversion and 92.5% phenol yield at 300 °C under 4 MPa initial H2 pressure in n-hexane for 4 h. According to comprehensive characterizations and catalytic measurements, the excellent performance of α-2Mo1Sn was ascribed to the formation of abundant Sn-O-Mo-OV interfacial sites, which possessed strong Mo-Sn interaction with enhanced surface area, electron-donating group binding ability, Lewis acidity, and redox ability. It was demonstrated that over the present α-2Mo1Sn catalyst system, the Sn-O-Mo-OV interfacial sites could greatly facilitate the adsorption and activation of Caromatic-OCH3 and Caromatic-CH3 bonds, and thus significantly promote the demethoxylation and demethylation reaction to produce phenol. This work figures out the rational design of MoO3-based catalyst and displays a clear potential for the selective hydrodeoxygenation of lignin derivatives into monophenols.

Photocatalytic transfer hydrogenolysis of aromatic ketones using alcohols

Gao, Zhuyan,Han, Jianyu,Hong, Feng,Lei, Lijun,Li, Hongji,Liu, Huifang,Luo, Nengchao,Wang, Feng

, p. 3802 - 3808 (2020/07/09)

A mild method of photocatalytic deoxygenation of aromatic ketones to alkyl arenes was developed, which utilized alcohols as green hydrogen donors. No hydrogen evolution during this transformation suggested a mechanism of direct hydrogen transfer from alcohols. Control experiments with additives indicated the role of acid in transfer hydrogenolysis, and catalyst characterization confirmed a larger number of Lewis acidic sites on the optimal Pd/TiO2 photocatalyst. Hence, a combination of hydrogen transfer sites and acidic sites may be responsible for efficient deoxygenation without additives. The photocatalyst showed reusability and achieved selective reduction in a variety of aromatic ketones.

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