3-tert-butylcyclohex-2-en-1-one

Base Information

• Chemical Name: 3-tert-butylcyclohex-2-en-1-one
• CAS No.: 17299-35-3
• Molecular Formula: C10H16 O
• Molecular Weight: 152.236
• Hs Code.: 2914299000
• Mol file: 17299-35-3.mol

Synonyms:2-Cyclohexen-1-one,3-tert-butyl- (8CI); 3-tert-Butyl-2-cyclohexen-1-one;3-tert-Butyl-2-cyclohexenone; NSC 43894

Chemical Property of 3-tert-butylcyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.0905mmHg at 25°C
• Boiling Point: 224.6°Cat760mmHg
• Flash Point: 91°C
• PSA: 17.07000
• Density: 0.948g/cm³
• LogP: 2.71190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-tert-butylcyclohex-2-en-1-one

There total 20 articles about 3-tert-butylcyclohex-2-en-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: 87.0%

1-(tert-butyl)cyclohex-2-en-1-ol (69035-58-1) → 3-(tert-butyl)cyclohex-2-en-1-one (17299-35-3)

Guidance literature:

With dipyridinium dichromate; [bis(acetoxy)iodo]benzene; oxygen; magnesium sulfate; In dichloromethane; water; at 0 - 20 ℃; for 5h;

DOI:10.1021/acs.orglett.7b01604

Reference yield: 87.0%

3-bromo-2-cyclohexen-1-one (56671-81-9) + tert.-butyl lithium (594-19-4) → 3-(tert-butyl)cyclohex-2-en-1-one (17299-35-3)

Guidance literature:

With copper(I) thiophenolate; In tetrahydrofuran; pentane; at 0 ℃; for 2.5h;

DOI:10.1139/v82-185

Reference yield: 74.0%

diethyl 7,7-dimethyl-2,6-dioxooctylphosphonate (144890-13-1) → 3-(tert-butyl)cyclohex-2-en-1-one (17299-35-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; for 2h; Heating;

DOI:10.1246/bcsj.65.2456

upstream raw materials:

Phosphoric acid diethyl ester 3-oxo-cyclohex-1-enyl ester

tert.-butyl lithium

3-bromo-2-cyclohexen-1-one

3-Ethoxycyclohex-2-en-1-one

Downstream raw materials:

(R)-(+)-3-tert-butylcyclohexanone

(3S)-3-tert-butylcyclohexanone

Acetic acid 3-tert-butyl-cyclohex-2-enyl ester

benzenesulfonylhydrazone of 3-tert-butylcyclohex-2-en-1-one