3-Benzoylcyclohexanone

Base Information

• Chemical Name: 3-Benzoylcyclohexanone
• CAS No.: 58753-28-9
• Molecular Formula: C13H14O2
• Molecular Weight: 202.253
• DSSTox Substance ID: DTXSID20446426
• Nikkaji Number: J570.256I
• Mol file: 58753-28-9.mol

Synonyms:3-benzoylcyclohexanone;Cyclohexanone, 3-benzoyl-;58753-28-9;3-benzoyl-cyclohexan-1-one;SCHEMBL15658130;DTXSID20446426;AKOS015906366

Chemical Property of 3-Benzoylcyclohexanone

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.099379685
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC(=O)C1)C(=O)C2=CC=CC=C2

Technology Process of 3-Benzoylcyclohexanone

There total 28 articles about 3-Benzoylcyclohexanone 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%

5-benzoyl-2-cyclohexenone (154386-86-4) → 3-benzoylcyclohexan-1-one (58753-28-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In benzene; for 5h; under 825.07 Torr;

DOI:10.1080/00397919408012628

Reference yield: 95.0%

(1-Ethoxy-ethoxy)-(3-oxo-cyclohexyl)-phenyl-acetonitrile (90496-77-8) → 3-benzoylcyclohexan-1-one (58753-28-9)

Guidance literature:

With sulfuric acid; In ethanol; for 0.166667h;

DOI:10.1016/0040-4020(84)85069-3

Reference yield: 90.0%

Dimethylamino-(3-oxo-cyclohexyl)-phenyl-acetonitrile (94517-04-1) → 3-benzoylcyclohexan-1-one (58753-28-9)

Guidance literature:

With silver nitrate; In tetrahydrofuran; diethyl ether; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88047-9

upstream raw materials:

cyclohexenone

benzoyltrimethylsilane

Cyclohexyl phenyl ketone

Dimethylamino-(3-oxo-cyclohexyl)-phenyl-acetonitrile

Downstream raw materials:

3-benzoylcyclohex-2-en-1-one

Refernces

• 1、 Akiyama, Takahiko,Uchikura, Tatsuhiro,Toda, Mitsuhiro,Mouri, Toshiki,Fujii, Tatsuya,Moriyama, Kaworuko,Ibanez, Ignacio. "Radical hydroalkylation and hydroacylation of alkenes by the use of benzothiazoline under thermal conditions". . p. 12715 - 12723. Retrieved 2020/11/09.
• 2、 Wang, Chao-Ming,Song, Dan,Xia, Peng-Ju,Wang, Jing,Xiang, Hao-Yue,Yang, Hua. "Visible-Light-Promoted Synthesis of 1,4-Dicarbonyl Compounds via Conjugate Addition of Aroyl Chlorides". supporting information. p. 271 - 274. Retrieved 2018/01/27.