Ethyl 10-chlorodecanoate

Base Information

• Chemical Name: Ethyl 10-chlorodecanoate
• CAS No.: 70813-65-9
• Molecular Formula: C12H23ClO2
• Molecular Weight: 234.766
• European Community (EC) Number: 274-905-6
• DSSTox Substance ID: DTXSID80991083
• Nikkaji Number: J288.632D
• Wikidata: Q82980751
• Mol file: 70813-65-9.mol

Synonyms:Ethyl 10-chlorodecanoate;70813-65-9;EINECS 274-905-6;SCHEMBL6080088;DTXSID80991083;10-Chlorodecanoic acid ethyl ester

Chemical Property of Ethyl 10-chlorodecanoate

Chemical Property:

• Vapor Pressure: 0.00197mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 291.3 °C at 760 mmHg
• Flash Point: 130 °C
• PSA: 26.30000
• Density: 0.972 g/cm³
• LogP: 3.90910
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 234.1386577
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCl

Technology Process of Ethyl 10-chlorodecanoate

There total 1 articles about Ethyl 10-chlorodecanoate 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%

8-chlorooctylmalonic acid diethylester (650598-39-3) + ethanol (64-17-5) → 10-chlorodecanoic acid ethylester (70813-65-9)

Guidance literature:

With water; Marlon AS₃-acid; at 150 ℃; for 6h; Neat (no solvent);

Reference yield:

10-chlorodecanoic acid ethylester (70813-65-9) → Diethyl (Z)-10-Phenyl-9-nonadecen-1,19-dicarboxylat (70813-30-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaI / butan-2-one

3: NaH, KH / tetrahydrofuran

With potassium hydride; sodium hydride; sodium iodide; In tetrahydrofuran; butanone;

DOI:10.1021/jo01332a014

Reference yield:

10-chlorodecanoic acid ethylester (70813-65-9) → 9-Ethoxycarbonylnonyl-triphenylphosphoniumion

Guidance literature:

Multi-step reaction with 2 steps

1: NaI / butan-2-one

With sodium iodide; In butanone;

DOI:10.1021/jo01332a014

upstream raw materials:

8-chlorooctylmalonic acid diethylester

ethanol

Downstream raw materials:

ethyl 10-iododecanoate

Diethyl (Z)-10-Phenyl-9-nonadecen-1,19-dicarboxylat

Refernces