Ethyl 8-chloro-8-oxooctanoate

Base Information

• Chemical Name: Ethyl 8-chloro-8-oxooctanoate
• CAS No.: 14113-02-1
• Molecular Formula: C10H17 Cl O3
• Molecular Weight: 220.696
• Hs Code.: 2918300090
• European Community (EC) Number: 237-969-6
• DSSTox Substance ID: DTXSID80930997
• Nikkaji Number: J216.872C
• Wikidata: Q82906495
• Mol file: 14113-02-1.mol

Synonyms:Ethyl 8-chloro-8-oxooctanoate;14113-02-1;Ethyl 7-chloro-7-formylheptanoate;8-Chloro-8-oxooctanoic acid ethyl ester;7-Chlorocarbonyl-heptanoic acid ethyl ester;Octanoic acid, 8-chloro-8-oxo-, ethyl ester;SCHEMBL4570296;DTXSID80930997;Ethyl 8-chloro-8-oxooctanoate #;Ethyl 7-(Chlorocarbonyl)heptanoate;EINECS 237-969-6;FT-0758700

Chemical Property of Ethyl 8-chloro-8-oxooctanoate

Chemical Property:

• Vapor Pressure: 0.00768mmHg at 25°C
• Boiling Point: 268.5°Cat760mmHg
• Flash Point: 97.9°C
• PSA: 43.37000
• Density: 1.073g/cm³
• LogP: 2.65550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 220.0866221
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCC(=O)Cl

Technology Process of Ethyl 8-chloro-8-oxooctanoate

There total 8 articles about Ethyl 8-chloro-8-oxooctanoate 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: 100.0%

Ethyl hydrogen suberate (14113-01-0) → ethyl 8-chloro-8-oxooctanoate (14113-02-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

ethanol (64-17-5) + suberoyl chloride (10027-07-3) → ethyl 8-chloro-8-oxooctanoate (14113-02-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 3h;

Reference yield:

octane-1,8-dioic acid (505-48-6) → ethyl 8-chloro-8-oxooctanoate (14113-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 47.3 percent / conc. H₂SO₄ / 48 h

2: 97.3 percent / thionyl chloride; pyridine / 24 h / 70 °C

With pyridine; thionyl chloride; sulfuric acid;

DOI:10.1021/ja065702o

upstream raw materials:

Ethyl hydrogen suberate

ethanol

suberoyl chloride

octane-1,8-dioic acid

Downstream raw materials:

8-oxo-decanoic acid ethyl ester

12-Methyl-8-oxo-tridecansaeure

8-(2-Hydroxy-3,4-dimethoxy-6-methyl-phenyl)-8-oxo-octanoic acid

ethyl 8-oxododecanoate