(2S)-2-Chlorohexanoic acid

Base Information

Chemical Name:(2S)-2-Chlorohexanoic acid
CAS No.:32653-33-1
Molecular Formula:C6H11ClO2
Molecular Weight:150.60300
Hs Code.:
DSSTox Substance ID:DTXSID60508395
Nikkaji Number:J1.343.973G
Wikidata:Q82365271
Mol file:32653-33-1.mol

Synonyms:(2S)-2-Chlorohexanoic acid;32653-33-1;SCHEMBL7820950;DTXSID60508395

Suppliers and Price of (2S)-2-Chlorohexanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of (2S)-2-Chlorohexanoic acid

Chemical Property:

Boiling Point:97 - 100 °C (1 - 2 mmHg)
PSA：37.30000
LogP:1.86860
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:150.0447573
Heavy Atom Count:9
Complexity:93.1

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C(=O)O)Cl
Isomeric SMILES:CCCC[C@@H](C(=O)O)Cl

Technology Process of (2S)-2-Chlorohexanoic acid

There total 8 articles about (2S)-2-Chlorohexanoic acid 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:

: ethyl 2-chlorohexanimidate hydrochloride

: 32653-33-1
(S)-α-Chlor-n-capronsaeure

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / CH₂Cl₂ / 10 h / Ambient temperature

2: 1.) 1.3 M butyllithium, 2.) water, 3.) 1 M aq. HCl

With hydrogenchloride; n-butyllithium; water; In dichloromethane;
DOI:10.1246/bcsj.55.3546

Reference yield:

: 59045-37-3
1,2;5,6-di-O-(1-methylethylidene)-α-D-glucofuranosyl hexanoate

: 32653-33-1
(S)-α-Chlor-n-capronsaeure

Guidance literature:: Multi-step reaction with 3 steps

1: n-BuLi, iPr₂NH / tetrahydrofuran; hexane / 6 h / -70 - 20 °C

2: N-chlorosuccinimide / tetrahydrofuran / 1 h / -70 °C

3: 30percent aq. H₂O₂, LiOH / tetrahydrofuran / 0.5 h

With lithium hydroxide; N-chloro-succinimide; n-butyllithium; dihydrogen peroxide; diisopropylamine; In tetrahydrofuran; hexane;
DOI:10.1016/0957-4166(95)00251-J

Reference yield:

: 1-<1,2;5,6-di-O-(1-methylethylidene)-α-D-glucofuranosyloxy>-1-trimethylsilyloxy-hex-1-ene

: 32653-33-1
(S)-α-Chlor-n-capronsaeure

Guidance literature:: Multi-step reaction with 2 steps

1: N-chlorosuccinimide / tetrahydrofuran / 1 h / -70 °C

2: 30percent aq. H₂O₂, LiOH / tetrahydrofuran / 0.5 h

With lithium hydroxide; N-chloro-succinimide; dihydrogen peroxide; In tetrahydrofuran;
DOI:10.1016/0957-4166(95)00251-J