Ethyl 10-chloro-10-oxodecanoate

Base Information

• Chemical Name: Ethyl 10-chloro-10-oxodecanoate
• CAS No.: 6946-46-9
• Molecular Formula: C12H21 Cl O3
• Molecular Weight: 248.75
• Hs Code.: 2918300090
• NSC Number: 57323
• DSSTox Substance ID: DTXSID20288686
• Wikidata: Q82025767
• Mol file: 6946-46-9.mol

Synonyms:ethyl 10-chloro-10-oxodecanoate;6946-46-9;NSC57323;ethyl 9-chloroformylnonanoate;SCHEMBL7331062;DTXSID20288686;UYQCPLVIWOWNDT-UHFFFAOYSA-N;ethyl 10-chloro-10-oxo-decanoate;omega-carbethoxypelargonoyl chloride;NSC-57323;10-chloro-10-oxo-decanoic acid ethyl ester

Chemical Property of Ethyl 10-chloro-10-oxodecanoate

Chemical Property:

• Vapor Pressure: 0.000925mmHg at 25°C
• Boiling Point: 303.5°C at 760 mmHg
• Flash Point: 106.4°C
• PSA: 43.37000
• Density: 1.042g/cm³
• LogP: 3.43570
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 248.1179222
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

9-CHLOROCARBONYL-NONANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 10-chloro-10-oxodecanoate

There total 8 articles about Ethyl 10-chloro-10-oxodecanoate 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: 98.0%

monoethyl sebacate (693-55-0) → 9-ethoxycarbonylnonanoic acid chloride (6946-46-9)

Guidance literature:

With thionyl chloride; for 1.5h; Heating;

DOI:10.1021/jm061088f

Reference yield: 76.2%

→ monoethyl sebacate (693-55-0) + 9-ethoxycarbonylnonanoic acid chloride (6946-46-9)

Guidance literature:

Reference yield:

1,10-decanedioic acid (111-20-6,26776-29-4) → 9-ethoxycarbonylnonanoic acid chloride (6946-46-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / diethyl sebacate, HCl / dibutyl ether

2: 93 percent / thionyl chloride / petroleum ether

With hydrogenchloride; thionyl chloride; diethyl sebacate; In dibutyl ether; Petroleum ether;

DOI:10.1021/ja00523a035

upstream raw materials:

sebacoyl chloride

monoethyl sebacate

diethyl sebacate

1,10-decanedioic acid

Downstream raw materials:

10-(4-isopropyl-phenyl)-10-oxo-decanoic acid

10-(4-methoxy-phenyl)-10-oxo-decanoic acid

10-(2,4-dihydroxy-phenyl)-10-oxo-decanoic acid ethyl ester

10-oxo-10-phenyl-decanoic acid ethyl ester

Refernces

• 1、 Abraham, Shibu,Lan, Yaqi,Lam, Ricky S. H.,Grahame, Douglas A. S.,Kim, Jennifer Jae Hee,Weiss, Richard G.,Rogers, Michael A.. "Influence of positional isomers on the macroscale and nanoscale architectures of aggregates of racemic hydroxyoctadecanoic acids in their molecular gel, dispersion, and solid states". experimental part. p. 4955 - 4964. Retrieved 2012/07/13.
• 2、 -. "Process for producing ferrocenoyl derivatives". . . Retrieved 2008/06/13.