2-Chlorohexanoic acid

Base Information

• Chemical Name: 2-Chlorohexanoic acid
• CAS No.: 29671-30-5
• Molecular Formula: C6H11ClO2
• Molecular Weight: 150.605
• DSSTox Substance ID: DTXSID90340467
• Nikkaji Number: J126.794I
• Mol file: 29671-30-5.mol

Synonyms:2-Chlorohexanoic acid;29671-30-5;Hexanoic acid, 2-chloro-;chlorohexanoic acid;2-Chlorocaproic acid;SCHEMBL321177;DTXSID90340467;TQP0740;AKOS006307672

Chemical Property of 2-Chlorohexanoic acid

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)O)Cl

Technology Process of 2-Chlorohexanoic acid

There total 14 articles about 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: 88.0%

(S)-4-Benzyl-2-(1-chloro-pentyl)-4,5-dihydro-oxazole → 2-chlorohexanoic acid (29671-30-5)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 4.5h;

DOI:10.1246/bcsj.55.3546

Reference yield: 85.0%

→ 2-chlorohexanoic acid (29671-30-5)

Guidance literature:

With potassium metaperiodate; sulfuric acid; In ethanol; a) 40 deg C, 20 min., b) 20 deg C, 15 h;

Reference yield:

2-chloro-1-hydroperoxy-cyclohexanol (15250-08-5) → 2-chlorohexanoic acid (29671-30-5) + 6-chlorohexanoic acid (4224-62-8) + 6-Chlor-hexen-(5)-saeure (86977-36-8) + 6,6-Dichlorcapronsaeure (5077-74-7)

Guidance literature:

With iron(II) sulfate; In water; at 15 - 20 ℃; for 1h; Further byproducts given;

DOI:10.1007/BF01433747

upstream raw materials:

2-chlorohexan-1-ol

n-butylmalonic acid

hexanoic acid

2-Chlor-capronohydroxamsaeure-chlorid

Downstream raw materials:

ethyl ester of the 2-chlorocapronic acid

methyl α-chlorohexanoate

2-Chloro-hexanoic acid 4-{5-[4-(2-chloro-hexanoyloxy)-phenyl]-pyrimidin-2-yl}-phenyl ester

2-(2,3-Dichloro-4-methoxy-phenylsulfanyl)-hexanoyl chloride