3-(tert-Butyl)cyclohexanone

Base Information

• Chemical Name: 3-(tert-Butyl)cyclohexanone
• CAS No.: 936-99-2
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• Hs Code.: 2914299000
• Mol file: 936-99-2.mol

Synonyms:Cyclohexanone,3-tert-butyl;3-tert-Butylcyclohexanone;3-tert-Butyl-cyclohexanon;

Chemical Property of 3-(tert-Butyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.165mmHg at 25°C
• Boiling Point: 213.3°C at 760 mmHg
• Flash Point: 75.7°C
• PSA: 17.07000
• Density: 0.911g/cm³
• LogP: 2.79180

Purity/Quality:

98% ^*data from raw suppliers

3-(tert-Butyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(tert-Butyl)cyclohexanone

There total 54 articles about 3-(tert-Butyl)cyclohexanone 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: 97.0%

cyclohexenone (930-68-7) + C6H5SO2CH2CuC(CH3)3(1-)*Li(1+)=(C6H5SO2CH2CuC(CH3)3)Li → methylphenylsulfonate (3112-85-4) + 3-tert-butylcyclohexanone (936-99-2)

Guidance literature:

With ammonium chloride; In tetrahydrofuran; at 0 ℃;

DOI:10.1039/c39820000358

Reference yield: 96.0%

cyclohexenone (930-68-7) + lithium (methylsulfonyl)methyl(tert-butyl)cuprate → dimethylsulfone (67-71-0) + 3-tert-butylcyclohexanone (936-99-2)

Guidance literature:

With ammonium chloride; In tetrahydrofuran; at 0 ℃;

DOI:10.1039/c39820000358

Reference yield: 89.0%

cyclohexenone (930-68-7) + tert-butylzinc bromide (7565-59-5) → 3-tert-butylcyclohexanone (936-99-2)

Guidance literature:

With chloro-trimethyl-silane; boron trifluoride diethyl etherate; In tetrahydrofuran; at -30 ℃;

upstream raw materials:

cyclohexenone

tert-butylmagnesium chloride

tert.-butyl lithium

5-tert-butylcyclohex-2-en-1-one

Downstream raw materials:

5-tert.-Butyl-1-chlor-cyclohexen

3-tert.-Butyl-1,1-difluor-cyclohexan

3-tert.-Butyl-cyclohexanon-cyanhydrin

1-tert-butyl-1-cyclohexene

Refernces

• 1、 Wang, Bingyang,Lin, Jin,Sun, Qiangsheng,Xia, Chungu,Sun, Wei. "Efficient Aliphatic C-H Oxidation and C═C Epoxidation Catalyzed by Porous Organic Polymer-Supported Single-Site Manganese Catalysts". . p. 10964 - 10973. Retrieved 2021/09/08.
• 2、 Pitre, Spencer P.,Allred, Tyler K.,Overman, Larry E.. "Lewis acid activation of fragment-coupling reactions of tertiary carbon radicals promoted by visible-light irradiation of EDA complexes". supporting information. p. 1103 - 1106. Retrieved 2021/02/16.