2-(4-Chlorobenzoyl)cyclohexan-1-one

Base Information

• Chemical Name: 2-(4-Chlorobenzoyl)cyclohexan-1-one
• CAS No.: 38968-76-2
• Molecular Formula: C13H13 Cl O2
• Molecular Weight: 236.698
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40480029
• Nikkaji Number: J1.265.271B
• Mol file: 38968-76-2.mol

Synonyms:2-(4-CHLOROBENZOYL)CYCLOHEXANONE;38968-76-2;2-(4-CHLOROBENZOYL)CYCLOHEXAN-1-ONE;SCHEMBL8144387;DTXSID40480029;FT-0742309;2-(4-Chlorobenzoyl)cyclohexanone, AldrichCPR

Chemical Property of 2-(4-Chlorobenzoyl)cyclohexan-1-one

Chemical Property:

• PSA: 34.14000
• LogP: 3.28200
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.0604073
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

2-(4-CHLOROBENZOYL)CYCLOHEXANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chlorobenzoyl)cyclohexan-1-one

There total 4 articles about 2-(4-Chlorobenzoyl)cyclohexan-1-one 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: 99.0%

2-[(4-Chloro-phenyl)-hydroxy-methyl]-cyclohexanone (13161-16-5,13161-17-6,61235-09-4,132556-37-7,132556-38-8) → 2-(4'-chloro)benzoylcyclohexanone (38968-76-2)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; at 77 ℃;

DOI:10.1021/jo201810c

Reference yield: 80.0%

cyclohexenone (930-68-7) + para-Chlorobenzyl alcohol (873-76-7) → 2-(4'-chloro)benzoylcyclohexanone (38968-76-2)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; TOP; isopropyl alcohol; sodium sulfite; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 15h; Inert atmosphere;

DOI:10.1039/c2cc32787b

Reference yield: 29.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-chloro-benzoyl chloride (122-01-0) → 2-(4'-chloro)benzoylcyclohexanone (38968-76-2)

Guidance literature:

cyclohexanone; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

4-chloro-benzoyl chloride; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo301138w

upstream raw materials:

cyclohexanone

4-chloro-benzoyl chloride

para-chlorobenzoic acid

2-[(4-Chloro-phenyl)-hydroxy-methyl]-cyclohexanone

Downstream raw materials:

3-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzisoxazole

2-bromo-6-(4-chloro-benzoyl)-cyclohexanone

1-(4-chlorophenyl)-3-hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-chloro-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile