2-Methylcyclohex-1-ene-1-carbonyl chloride

Base Information

Chemical Name:2-Methylcyclohex-1-ene-1-carbonyl chloride
CAS No.:74517-10-5
Molecular Formula:C8H11 Cl O
Molecular Weight:158.62534
Hs Code.:
DSSTox Substance ID:DTXSID70597538
Wikidata:Q82493113
Mol file:74517-10-5.mol

Synonyms:74517-10-5;2-Methylcyclohex-1-ene-1-carbonyl chloride;SCHEMBL8041732;DTXSID70597538

Suppliers and Price of 2-Methylcyclohex-1-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

Total 3 raw suppliers

Chemical Property of 2-Methylcyclohex-1-ene-1-carbonyl chloride

Chemical Property:

PSA：17.07000
LogP:2.64230
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:158.0498427
Heavy Atom Count:10
Complexity:182

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(CCCC1)C(=O)Cl

Technology Process of 2-Methylcyclohex-1-ene-1-carbonyl chloride

There total 4 articles about 2-Methylcyclohex-1-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:

: 13148-94-2
2-methyl-1-cyclohexenecarboxylic acid

: 74517-10-5
2-Methyl-1-cyclohex-1-ene carboxylic acid chloride

Guidance literature:: With thionyl chloride; In chloroform; at 0 ℃;
DOI:10.1016/S0957-4166(00)00112-9

Reference yield:

: 104654-69-5
Ethyl 2-methyl-1-cyclohex-1-ene carboxylate

: 74517-10-5
2-Methyl-1-cyclohex-1-ene carboxylic acid chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / aq. KOH / methanol / 4 h / Heating

2: SOCl₂ / CHCl₃ / 0 °C

With potassium hydroxide; thionyl chloride; In methanol; chloroform; 1: Hydrolysis / 2: Substitution;
DOI:10.1002/(SICI)1521-3765(20000317)6:6<949::AID-CHEM949>3.0.CO;2-H

Reference yield:

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 74517-10-5
2-Methyl-1-cyclohex-1-ene carboxylic acid chloride

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / toluene / 1.5 h / 85 °C

1.2: 2 h / 0 °C

2.1: copper(l) cyanide / diethyl ether / 0.5 h / -50 °C / Inert atmosphere

2.2: 0.5 h / -50 °C / Inert atmosphere

3.1: lithium hydroxide monohydrate / tetrahydrofuran; methanol; water / 20 - 70 °C / Inert atmosphere

4.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C / Inert atmosphere

With oxalyl dichloride; lithium hydroxide monohydrate; copper(l) cyanide; sodium hydride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; water; toluene;
DOI:10.1002/anie.201305218