2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile

Base Information

Chemical Name:2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile
CAS No.:7705-65-9
Molecular Formula:C₄₀H₃₁NO₆S₃
Molecular Weight:717.887
Hs Code.:
NSC Number:98990
DSSTox Substance ID:DTXSID00294962

Synonyms:7705-65-9;NSC98990;2-[4-(phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile;DTXSID00294962;NSC-98990

Suppliers and Price of 2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile

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 2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile

Chemical Property:

Vapor Pressure:2.8E-32mmHg at 25°C
Boiling Point:889.6°Cat760mmHg
Flash Point:491.8°C
Density:1.339g/cm³
XLogP3:7.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:717.13135123
Heavy Atom Count:50
Complexity:1390

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:C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CC(CC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)(C#N)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

Technology Process of 2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile

There total 2 articles about 2-[4-(Phenylsulfonyl)benzyl]-2,3-bis[4-(phenylsulfonyl)phenyl]propanenitrile 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:

: 7705-64-8
4-(phenylsulfonyl)benzyl alcohol

: 7705-65-9
2-(4-Benzenesulfonyl-benzyl)-2,3-bis-(4-benzenesulfonyl-phenyl)-propionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: PBr₃

2: acetone; H₂O

With phosphorus tribromide; In water; acetone;
DOI:10.1021/jo01279a112

Reference yield:

: 37991-83-6
4-(phenylsulfonyl)benzoyl chloride

: 7705-65-9
2-(4-Benzenesulfonyl-benzyl)-2,3-bis-(4-benzenesulfonyl-phenyl)-propionitrile

Guidance literature:: Multi-step reaction with 3 steps

1: LiAlH₄ / dioxane; diethyl ether

2: PBr₃

3: acetone; H₂O

With lithium aluminium tetrahydride; phosphorus tribromide; In 1,4-dioxane; diethyl ether; water; acetone;
DOI:10.1021/jo01279a112