4-Methylcyclohex-3-ene-1-carbonyl chloride

Base Information

Chemical Name:4-Methylcyclohex-3-ene-1-carbonyl chloride
CAS No.:16695-95-7
Molecular Formula:C8H11 Cl O
Molecular Weight:158.628
Hs Code.:2916209090
DSSTox Substance ID:DTXSID40513765
Mol file:16695-95-7.mol

Synonyms:16695-95-7;4-Methylcyclohex-3-ene-1-carbonyl chloride;4-methylcyclohex-3-enecarbonyl chloride;3-Cyclohexene-1-carbonyl chloride, 4-methyl- (8CI,9CI);SCHEMBL2878253;DTXSID40513765;NZZITUYJLJVUTI-UHFFFAOYSA-N;4-methyl-cyclohex-3-enecarbonyl chloride

Suppliers and Price of 4-Methylcyclohex-3-ene-1-carbonyl chloride

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

TRC
4-Methylcyclohex-3-enecarbonylChloride
10mg
$ 305.00

Total 3 raw suppliers

Chemical Property of 4-Methylcyclohex-3-ene-1-carbonyl chloride

Chemical Property:

PSA：17.07000
LogP:2.49820
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:158.0498427
Heavy Atom Count:10
Complexity:172

Purity/Quality:

99% ^*data from raw suppliers

4-Methylcyclohex-3-enecarbonylChloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(CC1)C(=O)Cl
Uses 4-Methylcyclohex-3-enecarbonyl Chloride is an intermediate in the synthesis of (±)-α-Bisabolol-D3 (D480776). Deuterium labelled analog of (±)-α-Bisabolol, which is found in a variety of beauty and skin care products, including compositions for skin lightening cosmetic creams, color change cosmetic compositions for makeup fused with antioxidant function and oil-to-gel makeup removing compositions.

Technology Process of 4-Methylcyclohex-3-ene-1-carbonyl chloride

There total 7 articles about 4-Methylcyclohex-3-ene-1-carbonyl chloride 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: 94.3%

: 4342-60-3
4-methylcyclohex-3-enecarboxylic acid

: 16695-95-7
(4'-methylcyclohex-3'-ene-1-'-yl)carbonyl chloride

Guidance literature:: With thionyl chloride; In benzene; Heating;

Reference yield: 89.0%

: 814-68-6,25189-84-8
acryloyl chloride

: 78-79-5,9003-31-0
isoprene

: 16695-95-7
(4'-methylcyclohex-3'-ene-1-'-yl)carbonyl chloride

Guidance literature:: With methyloxirane; for 24h; Ambient temperature;
DOI:10.1021/jo00373a032

Reference yield:

: 78-79-5,9003-31-0
isoprene

: 16695-95-7
(4'-methylcyclohex-3'-ene-1-'-yl)carbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / Et₂AlCl / CH₂Cl₂; toluene / -78 - -30 °C

2: 62 percent / LiOH; aq. H₂O₂ / pentane / 15 h / 20 °C

3: oxalyl chloride; DMF / CH₂Cl₂ / 0 - 20 °C

With lithium hydroxide; oxalyl dichloride; dihydrogen peroxide; diethylaluminium chloride; N,N-dimethyl-formamide; In dichloromethane; toluene; pentane;
DOI:10.1039/b605244d