2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-

Base Information

Chemical Name:2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-
CAS No.:158930-44-0
Molecular Formula:C11H16O
Molecular Weight:164.24400
Hs Code.:
DSSTox Substance ID:DTXSID30456511
Nikkaji Number:J2.324.576K
Mol file:158930-44-0.mol

Synonyms:158930-44-0;(5S)-2,6-DIMETHYL-5-(PROP-1-EN-2-YL)CYCLOHEX-2-EN-1-ONE;2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-;DTXSID30456511;EN300-1196634;(5r,5s)-5-isopropenyl-2,6-dimethylcyclohex-2-en-1-one;(5S)-2,6-Dimethyl-5alpha-isopropenyl-2-cyclohexene-1-one;(5s)-2.6-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

Suppliers and Price of 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-

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 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-

Chemical Property:

Boiling Point:241.5±35.0 °C(Predicted)
PSA：17.07000
Density:0.913±0.06 g/cm3(Predicted)
LogP:2.73390
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:164.120115130
Heavy Atom Count:12
Complexity:248

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(CC=C(C1=O)C)C(=C)C
Isomeric SMILES:CC1[C@H](CC=C(C1=O)C)C(=C)C

Technology Process of 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)-

There total 1 articles about 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-, (5S)- 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: 88.0%

: 2244-16-8,6485-40-1
(S)-p-mentha-6,8-dien-2-one

: 74-88-4
methyl iodide

: 158930-44-0
6-methyl-carvone

Guidance literature:: With lithium diisopropyl amide; In tetrahydrofuran; at -10 ℃;
DOI:10.1039/c39890001294

Reference yield: 95.0%

: 158930-44-0
6-methyl-carvone

: 106-95-6
allyl bromide

: (5R,6R)-6-allyl-6-methyl carvone

Guidance literature:: 6-methyl-carvone; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 5h; Inert atmosphere;

allyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1021/jacs.7b06823

Reference yield: 87.0%

: 158930-44-0
6-methyl-carvone

: 141257-32-1
(3-methyl-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-2-yl)acetaldehyde

: 307928-72-9
(5R,6S)-6-[(S)-1-Hydroxy-2-(3-methyl-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-2-yl)-ethyl]-5-isopropenyl-2,6-dimethyl-cyclohex-2-enone

Guidance literature:: With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃;