4-Benzyl-2-cyclohexen-1-one

Base Information

• Chemical Name: 4-Benzyl-2-cyclohexen-1-one
• CAS No.: 81842-24-2
• Molecular Formula: C13H14O
• Molecular Weight: 186.254
• DSSTox Substance ID: DTXSID40472121
• Nikkaji Number: J755.843K

Synonyms:4-benzyl-2-cyclohexen-1-one;81842-24-2;SCHEMBL8416033;4-benzyl-cyclohex-2-en-1-one;DTXSID40472121;CMBMYOXQJBCPFT-UHFFFAOYSA-N

Chemical Property of 4-Benzyl-2-cyclohexen-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.76440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 186.104465066
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C=CC1CC2=CC=CC=C2

Technology Process of 4-Benzyl-2-cyclohexen-1-one

There total 21 articles about 4-Benzyl-2-cyclohexen-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: 90.0%

3-ethoxy-6-benzyl-cyclohex-2-en-1-one (78890-79-6) → (+/-)-4-benzyl-2-cyclohexenone (81842-24-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1016/S0040-4020(98)00323-8

Reference yield: 70.0%

(3R,4S)-4-Benzyl-3-trimethylsilanyl-cyclohexanone (127839-15-0,127911-66-4) → (+/-)-4-benzyl-2-cyclohexenone (81842-24-2)

Guidance literature:

With copper dichloride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(01)93427-6

Reference yield: 12.0%

4-benzyl-1-trimethylsilyloxylbicyclo<3.1.0>hexane (153788-41-1) → 4-benzylcyclohexanone (35883-77-3) + (+/-)-4-benzyl-2-cyclohexenone (81842-24-2)

Guidance literature:

With 9,10-Dicyanoanthracene; In acetonitrile; for 12h; UV-irradiation;

DOI:10.1016/j.tet.2005.08.034

upstream raw materials:

(3R,4S)-4-Benzyl-3-trimethylsilanyl-cyclohexanone

6,6-(ethylenedioxy)-3-benzyl-3-(phenylsulfonyl)cyclohexene

4-benzyl-1-trimethylsilyloxylbicyclo<3.1.0>hexane

3-ethoxy-6-benzyl-cyclohex-2-en-1-one

Downstream raw materials:

2-iodo-4-benzyl-2-cyclohexen-1-one

4-benzylcyclohexanol

trans-4-Benzylcyclohexan-1-ol

p-benzylphenol

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