3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile

Base Information

• Chemical Name: 3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile
• CAS No.: 280755-16-0
• Molecular Formula: C15H9Cl2NO2S
• Molecular Weight: 338.214
• DSSTox Substance ID: DTXSID201193648

Synonyms:DTXSID201193648;3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile;280755-16-0

Chemical Property of 3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 336.9731051
• Heavy Atom Count: 21
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=CC=C2Cl)Cl)C#N

Technology Process of 3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile

There total 1 articles about 3-(2,6-Dichlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile 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:

2,6-dichlorobenzaldehyde (83-38-5) + 2-(phenylsulfonyl)acetonitrile (7605-28-9) → (Z)-2-Benzenesulfonyl-3-(2,6-dichloro-phenyl)-acrylonitrile (280755-16-0)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide; benzene;

DOI:10.1080/00397910008087236

Reference yield: 96.0%

(Z)-2-Benzenesulfonyl-3-(2,6-dichloro-phenyl)-acrylonitrile (280755-16-0) → 2-amino-1,3-bis-benzenesulfonyl-4,5-bis-(2,6-dichloro-phenyl)-cyclopent-2-enecarbonitrile

Guidance literature:

With samarium; 1,1’-di-n-octyl-4,4’-bipyridinium dibromide; In methanol; at 20 ℃; for 1h;

DOI:10.1081/SCC-120027262

Reference yield: 70.0%

(Z)-2-Benzenesulfonyl-3-(2,6-dichloro-phenyl)-acrylonitrile (280755-16-0) → 3-(2,6-dichlorophenyl)propanenitrile (61698-06-4)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; methanol; at 60 ℃; for 8h;

DOI:10.1080/00397910008087236

upstream raw materials:

2,6-dichlorobenzaldehyde

2-(phenylsulfonyl)acetonitrile

Downstream raw materials:

3-(2,6-dichlorophenyl)propanenitrile

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