2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile

Base Information

Chemical Name:2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile
CAS No.:112033-21-3
Molecular Formula:C₂₀H₃₁NO₂S
Molecular Weight:349.538
Hs Code.:
DSSTox Substance ID:DTXSID30551050
Mol file:112033-21-3.mol

Synonyms:112033-21-3;DTXSID30551050;2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile

Suppliers and Price of 2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile

Chemical Property:

PSA：66.31000
LogP:6.37598
XLogP3:5.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:349.20755041
Heavy Atom Count:24
Complexity:478

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC(CCCC)C#N)CS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile

There total 1 articles about 2-Butyl-4-[(4-methylbenzene-1-sulfonyl)methyl]octanenitrile 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: 76.0%

: 592-41-6,25067-06-5
1-hexene

: 19158-51-1
P-toluenesulfonyl cyanide

: 35274-27-2
2-(p-tolylsulphonylmethyl)hexanenitrile

: 112033-21-3
2-Butyl-4-(toluene-4-sulfonylmethyl)-octanenitrile

Guidance literature:: 2,2'-azobis(isobutyronitrile); In benzene; Mechanism; Heating; various unsaturated hydrocarbons;
DOI:10.1016/S0040-4039(00)96226-9