1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

Base Information

Chemical Name:1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one
CAS No.:55695-36-8
Molecular Formula:C11H18 O
Molecular Weight:166.263
Hs Code.:
European Community (EC) Number:259-760-9
DSSTox Substance ID:DTXSID20971061
Nikkaji Number:J296.469D
Mol file:55695-36-8.mol

Synonyms:EINECS 259-760-9;55695-36-8;1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one;SCHEMBL2304535;DTXSID20971061;APIYGDOSJKQKKZ-UHFFFAOYSA-N;4-acetyl-1,3,3-trimethyl-1-cyclohexene;1-(2,2,4-Trimethyl-3-cyclohexenyl)ethanone;1-(2,2,4-trimethyl-cyclohex-3-enyl)-ethanone;1-(2,2,4-Trimethylcyclohex-3-en-1-yl)ethan-1-one

Suppliers and Price of 1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 5 raw suppliers

Chemical Property of 1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

Chemical Property:

Vapor Pressure:0.126mmHg at 25°C
Boiling Point:218.5°Cat760mmHg
Flash Point:79.5°C
PSA：17.07000
Density:0.887g/cm³
LogP:2.95790
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:166.135765193
Heavy Atom Count:12
Complexity:223

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(C(CC1)C(=O)C)(C)C

Technology Process of 1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

There total 7 articles about 1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-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: 97.0%

: 1000-86-8
2,4-Dimethyl-1,3-pentadiene

: 78-94-4,25038-87-3
methyl vinyl ketone

: 55695-36-8
1-(3,3,4-trimethyl-cyclohex-3-enyl)-ethanone

Guidance literature:: methyl vinyl ketone; aluminum (III) chloride; In tetrahydrofuran; at 5 - 20 ℃;

2,4-Dimethyl-1,3-pentadiene; In tetrahydrofuran; at 15 - 45 ℃; for 19.5h;

Reference yield: 67.0%

1-[2-Methyl-2-(2-methyl-propenyl)-cyclobutyl]-ethanone: 131510-66-2
1-[2-Methyl-2-(2-methyl-propenyl)-cyclobutyl]-ethanone

: 55695-36-8
1-(3,3,4-trimethyl-cyclohex-3-enyl)-ethanone

Guidance literature:: ethylaluminum dichloride; In benzene; at 0 ℃; for 0.416667h;
DOI:10.1016/S0040-4039(00)98020-1

Reference yield:

: 67223-99-8
1-acetyl-2-methylcyclobutene

: 55695-36-8
1-(3,3,4-trimethyl-cyclohex-3-enyl)-ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: 1) CuI / 1) THF, 40 min, -40 deg C or 30 min, -20 deg C 2) 30 min, -20 deg C

2: 67 percent / EtAlCl₂ / benzene / 0.42 h / 0 °C

With copper(l) iodide; ethylaluminum dichloride; In benzene;
DOI:10.1016/S0040-4039(00)98020-1