3-(4-Chlorophenyl)-2-(phenylsulfonyl)acrylonitrile

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-2-(phenylsulfonyl)acrylonitrile
• CAS No.: 129200-98-2
• Molecular Formula: C15H10ClNO2S
• Molecular Weight: 303.769
• European Community (EC) Number: 663-632-1

Synonyms:3-(4-chlorophenyl)-2-(phenylsulfonyl)acrylonitrile;129200-98-2;50709-88-1;(E)-2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile;C15H10ClNO2S;(E)-3-(4-chlorophenyl)-2-(phenylsulfonyl)acrylonitrile;2-Propenenitrile, 3-(4-chlorophenyl)-2-(phenylsulfonyl)-, (2E)-;(2E)-3-(4-chlorophenyl)-2-(phenylsulfonyl)prop-2-enenitrile;(2E)-2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile;MFCD03425821;STK445048;AKOS003321065;CS-0365656;8T-0622;J-501911;(2E)-3-(4-chlorophenyl)-2-(phenylsulfonyl)-2-propenenitrile

Chemical Property of 3-(4-Chlorophenyl)-2-(phenylsulfonyl)acrylonitrile

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 303.0120774
• Heavy Atom Count: 20
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)Cl)C#N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N

Technology Process of 3-(4-Chlorophenyl)-2-(phenylsulfonyl)acrylonitrile

There total 1 articles about 3-(4-Chlorophenyl)-2-(phenylsulfonyl)acrylonitrile 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: 97.0%

4-chlorobenzaldehyde (104-88-1) + 2-(phenylsulfonyl)acetonitrile (7605-28-9) → (2E)-α-cyano-β-(p-chlorophenyl)ethenyl phenyl sulfone (129200-98-2)

Guidance literature:

With potassium fluoride; natural phosphate; N-benzyl-N,N,N-triethylammonium chloride; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2003.11.086

Reference yield: 85.0%

(2E)-α-cyano-β-(p-chlorophenyl)ethenyl phenyl sulfone (129200-98-2) → (Z)-3-(4-chlorophenyl)propenenitrile (37627-41-1)

Guidance literature:

With sodium hydrogen telluride; In tetrahydrofuran; ethanol; for 0.5h;

Reference yield: 75.0%

N-phenyl-C-styrylmethanohydrazonyl bromide (129200-94-8) + (2E)-α-cyano-β-(p-chlorophenyl)ethenyl phenyl sulfone (129200-98-2) → 4-(4-Chloro-phenyl)-2-phenyl-5-((E)-styryl)-2H-pyrazole-3-carbonitrile (129201-01-0)

Guidance literature:

With triethylamine; In benzene; for 12h; Heating;

upstream raw materials:

4-chlorobenzaldehyde

2-(phenylsulfonyl)acetonitrile

Downstream raw materials:

4-(4-Chloro-phenyl)-2-phenyl-5-((E)-styryl)-2H-pyrazole-3-carbonitrile

(Z)-3-(4-chlorophenyl)propenenitrile

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