3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one

Base Information

Chemical Name:3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one
CAS No.:88656-06-8
Molecular Formula:C₁₁H₁₇ClO
Molecular Weight:200.708
Hs Code.:
DSSTox Substance ID:DTXSID50520884

Synonyms:88656-06-8;3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one;DTXSID50520884

Suppliers and Price of 3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-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 1 raw suppliers

Chemical Property of 3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one

Chemical Property:

PSA：17.07000
LogP:3.17680
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:200.0967929
Heavy Atom Count:13
Complexity:210

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(CCCC1=O)C(=C)CCCl

Technology Process of 3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one

There total 2 articles about 3-(4-Chlorobut-1-en-2-yl)-2-methylcyclohexan-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: 77.0%

: 1121-18-2
2-methyl-2-cyclohexen-1-one

: C₁₀H₁₁ClCuS^(1-)*Li⁽¹⁺⁾

: 88656-06-8
3-<2-(4-chloro-1-butenyl)>-2-methylcyclohexanone

Guidance literature:: In tetrahydrofuran; at -78 ℃; for 3h;
DOI:10.1039/c39830000935

Reference yield:

: 1121-18-2
2-methyl-2-cyclohexen-1-one

: 85370-33-8
4-chloro-2-lithio-1-butene

: 88656-06-8
3-<2-(4-chloro-1-butenyl)>-2-methylcyclohexanone

Guidance literature:: With copper(I) thiophenolate; Yield given. Multistep reaction; 1) THF, -78 deg C, 5 min, -63 deg C, 15 min; 2) -78 deg C, 3 h;
DOI:10.1016/0040-4020(89)80019-5