Cyclohexylacetyl chloride

Base Information

• Chemical Name: Cyclohexylacetyl chloride
• CAS No.: 23860-35-7
• Molecular Formula: C8H13 Cl O
• Molecular Weight: 160.644
• Hs Code.: 2915900090
• European Community (EC) Number: 607-279-3,691-854-9
• DSSTox Substance ID: DTXSID20374114
• Nikkaji Number: J2.346.440C
• Wikidata: Q82162612
• Mol file: 23860-35-7.mol

Synonyms:Cyclohexylacetyl chloride;23860-35-7;2-cyclohexylacetyl Chloride;Cyclohexaneacetyl chloride;2-cyclohexylacetylchloride;cyclohexylacetic acid chloride;cyclohexyl acetyl chloride;cyclohexylacetylchloride;cyclohexyl-acetyl chloride;2-cyclohexylethanoyl chloride;alpha-cyclohexylacetyl chloride;Cyclohexylacetyl chloride,98%;SCHEMBL458819;DTXSID20374114;VABYVFZVTIDNOA-UHFFFAOYSA-N;STR07395;YAA86035;MFCD03424702;AKOS009217850;CYCLOHEXYLACETYL CHLORIDE, 98%;FT-0763733;E73945;EN300-1262964;J-015241;F2190-0022

Chemical Property of Cyclohexylacetyl chloride

Chemical Property:

• Vapor Pressure: 0.207mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 187 °F(lit.)
• Flash Point: 178 °F
• PSA: 17.07000
• Density: 1.047 g/mL at 25 °C(lit.)
• LogP: 2.72220
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.0654927
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexylacetyl chloride 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC(=O)Cl

Technology Process of Cyclohexylacetyl chloride

There total 9 articles about Cyclohexylacetyl 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: 100.0%

Cyclohexylacetic acid (5292-21-7) → cyclohexylacetic acid chloride (23860-35-7)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1016/j.ejmech.2005.02.011

Reference yield: 86.0%

oxalyl dichloride (79-37-8) + ethyl 2-cyclohexylacetate (5452-75-5) → cyclohexylacetic acid chloride (23860-35-7)

Guidance literature:

With potassium hydroxide; In methanol; dichloromethane; water;

Reference yield:

oxalyl dichloride (79-37-8) + Cyclohexylacetic acid (5292-21-7) → cyclohexylacetic acid chloride (23860-35-7)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

upstream raw materials:

Cyclohexylacetic acid

phenylacetic acid

ethyl 2-(1-cyclohexenyl)acetate

oxalyl dichloride

Downstream raw materials:

cyclohexyl-acetic acid-(2-indol-3-yl-ethylamide)

cyclohexyl-acetic acid-(1-phenyl-2-pyrrolidino-ethyl ester); hydrochloride

2-cyclohexyl-1-(4-methoxyphenyl)ethan-1-one

4-cyclohexyl-butan-2-one

Refernces

• 1、 -. "Metal complex, electroluminescent device containing metal complex and application of metal complex". Paragraph 0154; 0161-0163. . Retrieved 2021/07/17.
• 2、 Nam, Donggeon,Steck, Viktoria,Potenzino, Robert J.,Fasan, Rudi. "A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones". . p. 2221 - 2231. Retrieved 2021/02/16.