3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-

Base Information

Chemical Name:3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-
CAS No.:70591-46-7
Molecular Formula:C11H16O3
Molecular Weight:196.246
Hs Code.:
DSSTox Substance ID:DTXSID10448398
Nikkaji Number:J888.496J
Wikidata:Q82267369

Synonyms:3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-;70591-46-7;DTXSID10448398;(1S)-5-Oxo-6,6-dimethyl-3-cyclohexene-1alpha-acetic acid methyl ester

Suppliers and Price of 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:196.109944368
Heavy Atom Count:14
Complexity:276

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(CC=CC1=O)CC(=O)OC)C
Isomeric SMILES:CC1([C@@H](CC=CC1=O)CC(=O)OC)C

Technology Process of 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)-

There total 3 articles about 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-, methyl ester, (S)- 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:

: 70591-45-6
(S)-4,4-Dimethyl-5-oxo-3-(2-oxo-ethyl)-hexanoic acid methyl ester

: 70591-46-7
(S)-5-methoxycarbonylmethyl-6,6-dimethyl-2-cyclohexen-1-one

Guidance literature:: With toluene-4-sulfonic acid; In benzene; Heating;

Reference yield:

: 82463-23-8
((S)-1,2,2-Trimethyl-6,7,8-trioxa-bicyclo[3.2.1]oct-3-yl)-acetic acid methyl ester

: 70591-46-7
(S)-5-methoxycarbonylmethyl-6,6-dimethyl-2-cyclohexen-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) ozone; 2.) triphenyl phosphine / 1.) dichloromethane, methanol, -78 deg C; 2.) -25 deg C

2: p-toluenesulfonic acid / benzene / 5 h / Heating

With toluene-4-sulfonic acid; ozone; triphenylphosphine; In benzene;
DOI:10.1139/v82-161