4-Chloro-cyclohexanecarbonyl chloride

Base Information

• Chemical Name: 4-Chloro-cyclohexanecarbonyl chloride
• CAS No.: 53287-45-9
• Molecular Formula: C7H10Cl2O
• Molecular Weight: 181.0597
• DSSTox Substance ID: DTXSID10481407
• Mol file: 53287-45-9.mol

Synonyms:4-CHLORO-CYCLOHEXANECARBONYL CHLORIDE;53287-45-9;SCHEMBL1087909;DTXSID10481407;Cyclohexanecarbonyl chloride, 4-chloro-

Chemical Property of 4-Chloro-cyclohexanecarbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.54940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.0108703
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)Cl)Cl

Technology Process of 4-Chloro-cyclohexanecarbonyl chloride

There total 3 articles about 4-Chloro-cyclohexanecarbonyl chloride 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:

trans-4-chlorocyclohexane carboxylic acid (56447-20-2) → 4-chloro-1-cyclohexanecarboxylic acid chloride (53287-45-9)

Guidance literature:

With thionyl chloride; In dichloromethane;

Reference yield:

4-hydroxycyclohexyl carboxylic acid ethyl ester (3618-04-0,75877-66-6,17159-80-7) → 4-chloro-1-cyclohexanecarboxylic acid chloride (53287-45-9)

Guidance literature:

With hydrogenchloride; Erwaermen des Reaktionsprodukts mit SOCl₂;

DOI:10.1021/ja01110a004

Reference yield:

→ 4-chloro-1-cyclohexanecarboxylic acid chloride (53287-45-9)

Guidance literature:

Saeure (9B), SOCl2;

upstream raw materials:

4-hydroxycyclohexyl carboxylic acid ethyl ester

trans-4-chlorocyclohexane carboxylic acid

Downstream raw materials:

3,4-Dichloro-1-(4-chloro-cyclohexyl)-butan-1-one

phenyl-(trans-4-phenyl-cyclohexyl)-ketone

2-[2-(4-Chloro-cyclohexyl)-pyrrol-1-yl]-ethanol

2-[2-(4-Chloro-cyclohexyl)-4-methyl-pyrrol-1-yl]-ethanol

Refernces