3-Phenyl-1-butanol

Base Information

• Chemical Name: 3-Phenyl-1-butanol
• CAS No.: 2722-36-3
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 29062900
• European Community (EC) Number: 220-335-8
• DSSTox Substance ID: DTXSID00949945
• Nikkaji Number: J1.817A
• Mol file: 2722-36-3.mol

Synonyms:3-Phenyl-1-butanol;3-Phenylbutan-1-ol;2722-36-3;Benzenepropanol, .gamma.-methyl-;EINECS 220-335-8;AI3-11558;3-phenyl butanol;3-phenyl-butanol;Benzenepropanol,g-methyl-;(+)-3-phenyl-l-butanol;(+)-3-phenyl-1-butanol;SCHEMBL81404;3-Phenyl-1-butanol, 99%;Benzenepropanol, gamma-methyl-;DTXSID00949945;AKOS009156890;FT-0704546;J-016702

Chemical Property of 3-Phenyl-1-butanol

Chemical Property:

• Vapor Pressure: 0.0215mmHg at 25°C
• Refractive Index: n20/D 1.52(lit.)
• Boiling Point: 239.7°Cat760mmHg
• PKA: 15.04±0.10(Predicted)
• Flash Point: 102.1°C
• PSA: 20.23000
• Density: 0.978g/cm³
• LogP: 2.17250
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Phenyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCO)C1=CC=CC=C1
• Uses: 3-Phenyl-1-butanol is a reactant with primary alcohol functional group which is oxidized to aldehyde using the nanoparticle-ferrite-palladium catalyst.

Technology Process of 3-Phenyl-1-butanol

There total 127 articles about 3-Phenyl-1-butanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

(R)-3-phenylbutyric acid (772-14-5) → (R)-3-phenylbutanol (2031-46-1,2722-36-3,86495-15-0,1126-07-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jo00177a047

Reference yield: 98.0%

(E)-3-phenylbut-2-en-1-ol (54976-38-4) → (R)-3-phenylbutanol (2031-46-1,2722-36-3,86495-15-0,1126-07-4)

Guidance literature:

With C₃₂H₁₂BF₂₄^(1-)*C₃₇H₄₁IrN₂PS⁽¹⁺⁾; hydrogen; In dichloromethane; at 20 ℃; for 17h; under 37503.8 Torr; enantioselective reaction;

DOI:10.1021/acscatal.6b02456

Reference yield: 96.0%

3-phenylbutyric acid (4593-90-2,772-17-8) → 3-phenyl-1-butanol (2722-36-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/j.tetasy.2007.07.002

upstream raw materials:

3-phenylbut-2-en-1-ol

3-phenylbutyric acid

dimethyl 2-phenylsuccinate

diethyl phenylsuccinate

Downstream raw materials:

1-bromo-3-phenylbutane

(3-chloro-1-methyl-propyl)-benzene

(R)-3-phenylbutanol

3-Phenylbutyraldehyde

Refernces

• 1、 Gu, Yiting,Lisnyak, Vladislav G.,Norton, Jack R.,Salahi, Farbod,Snyder, Scott A.,Zhou, Zhiyao. "Highly Selective Hydrogenation of C═C Bonds Catalyzed by a Rhodium Hydride". supporting information. p. 9657 - 9663. Retrieved 2021/07/19.
• 2、 Cabré, Albert,Lledós, Agustí,Rafael, Sergi,Riera, Antoni,Sciortino, Giuseppe,Ujaque, Gregori,Verdaguer, Xavier. "Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols". supporting information. p. 7521 - 7527. Retrieved 2020/03/24.