3-Chloro-1,1-diethoxypropane

Base Information

• Chemical Name: 3-Chloro-1,1-diethoxypropane
• CAS No.: 35573-93-4
• Molecular Formula: C7H15ClO2
• Molecular Weight: 166.648
• Hs Code.: 29091990
• European Community (EC) Number: 252-623-4
• NSC Number: 60136
• DSSTox Substance ID: DTXSID20189048
• Nikkaji Number: J260.651H
• Wikidata: Q72518258
• Mol file: 35573-93-4.mol

Synonyms:3-Chloro-1,1-diethoxypropane;35573-93-4;3-Chloropropionaldehyde diethyl acetal;Propane, 3-chloro-1,1-diethoxy-;3-Chloropropionaldehyde diethylacetal;3-Chloropropionaldehydediethylacetal;3-chloro-1,1-diethoxy-propane;MFCD00000994;EINECS 252-623-4;.beta.-Chloropropionaldehyde diethyl acetal;3-Chloroprionaldehyde Diethyl Acetal, Technical grade(Stabilized with 0.5per cent Calcium Carbonate);1-Chloro-3,3-diethoxypropane;NSC60136;NSC 60136;3,3-diethoxypropylchloride;SCHEMBL57500;3-ethoxy-4-oxahexyl chloride;DTXSID20189048;NSC-60136;3-chloro-propionaldehyde diethylacetal;AKOS006221912;3-chloro-propionaldehyde diethyl acetal;beta-chloropropionaldehyde diethylacetal;beta-Chloropropionaldehyde diethyl acetal;Propionaldehyde, 3-chloro-, diethyl acetal;AM20090561;CS-0199408;FT-0615517;EN300-65888;A822877;3-Chloropropionaldehyde diethylacetal, technical, >=90% (GC)

Chemical Property of 3-Chloro-1,1-diethoxypropane

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Refractive Index: n20/D 1.42(lit.)
• Boiling Point: 181.8 °C at 760 mmHg
• Flash Point: 36.7 °C
• PSA: 18.46000
• Density: 0.988 g/cm³
• LogP: 2.01440
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 166.0760574
• Heavy Atom Count: 10
• Complexity: 62.6

Purity/Quality:

99%, ^*data from raw suppliers

3-ChloroprionaldehydeDiethylAcetal,Technicalgrade(Stabilizedwith0.5%CalciumCarbonate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 26-36-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Ethers
• Canonical SMILES: CCOC(CCCl)OCC
• Uses: 3-Chloroprionaldehyde Diethyl Acetal is an acetal acompound with safener activity against thiocarbamate herbicides. 3-Chloropropionaldehyde diethylacetal has been used in the synthesis of:N-[4-[[3-(2, 4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]benzoyl]-L-glutamic acid, an acyclic analog of 5,6,7,8-tetrahydrofolic acid1-(D,L)-(3′-amino, 3′-carboxypropyl)uracil, nucleoamino acid7-methoxychromanonegrignard reagent

Technology Process of 3-Chloro-1,1-diethoxypropane

There total 8 articles about 3-Chloro-1,1-diethoxypropane 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: 90.0%

ethanol (64-17-5) + acrolein (107-02-8,25068-14-8) → 3-chloro-1,1-diethoxy-propane (35573-93-4)

Guidance literature:

With hydrogenchloride; calcium chloride; at 0 ℃; for 24h;

Reference yield:

acrolein (107-02-8,25068-14-8) → 3-chloro-1,1-diethoxy-propane (35573-93-4)

Guidance literature:

With hydrogenchloride;

Reference yield:

3-chloropropanaldehyde (19434-65-2) + ethanol (64-17-5) → 3-chloro-1,1-diethoxy-propane (35573-93-4)

Guidance literature:

With hydrogenchloride; at 25 ℃; Gleichgewicht und Geschwindigkeit der Bildung;

upstream raw materials:

3-chloropropanaldehyde

ethanol

1,3-dichloro-1-ethoxy-propane

sodium ethanolate

Downstream raw materials:

1,1-diethoxy-3-methylsulfanyl-propane

2-(3,3-diethoxy-propyl)-5-(4-methoxy-phenyl)-cyclohexane-1,3-dione

diethyl 2-(3-oxo-propyl)malonate

4,4-diethoxybutanenitrile

Refernces

• 1、 Barluenga, Jose,Fernandez, Jose R.,Yus, Miguel. "γ-Substituted Butyrolactones from Acrolein and Carbonyl Compounds". . p. 1534 - 1535. Retrieved 2007/10/02.