4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile

Base Information

Chemical Name:4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile
CAS No.:88958-79-6
Molecular Formula:C₁₄H₁₆ClNO₂S
Molecular Weight:297.806
Hs Code.:
DSSTox Substance ID:DTXSID20526979

Synonyms:88958-79-6;4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile;DTXSID20526979

Suppliers and Price of 4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile

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 4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:297.0590276
Heavy Atom Count:19
Complexity:473

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(CCC#N)(S(=O)(=O)C1=CC=CC=C1)Cl)C

Technology Process of 4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile

There total 2 articles about 4-(Benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile 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: 74.0%

: 84602-95-9
1-chloro-3-methyl-2-butenyl phenyl sulfone

: 107-13-1,25014-41-9
acrylonitrile

: 88958-79-6
4-Benzenesulfonyl-4-chloro-6-methyl-hept-5-enenitrile

Guidance literature:: DOI:10.1246/cl.1983.1557

Reference yield:

: 15874-80-3
3-methyl-1-(phenylsulfonyl)but-2-ene

: 88958-79-6
4-Benzenesulfonyl-4-chloro-6-methyl-hept-5-enenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: hexachloroethane, 50 percent aq. NaOH / tetrabutylammonium bromide / CH₂Cl₂

2: 74 percent

With sodium hydroxide; hexachloroethane; tetrabutylammomium bromide; In dichloromethane;
DOI:10.1246/cl.1983.1557