(2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile

Base Information

• Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile
• CAS No.: 5649-71-8
• Molecular Formula: C₁₇H₁₄N₂O₄S
• Molecular Weight: 342.375
• DSSTox Substance ID: DTXSID60415313
• Wikidata: Q82224247

Synonyms:5649-71-8;BAS 00652717;Cambridge id 5649718;DTXSID60415313;STK796758;AKOS000517307;AB00091721-01;SR-01000517458;SR-01000517458-1;(2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile;(E)-1-(1H-1,3-benzimidazol-2-yl)-2-[4-(methylsulfanyl)phenyl]-1-ethenyl cyanide

Chemical Property of (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 1.32E-11mmHg at 25°C
• Boiling Point: 537°Cat760mmHg
• Flash Point: 278.6°C
• Density: 1.3g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.08301860
• Heavy Atom Count: 21
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2
• Isomeric SMILES: CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

Technology Process of (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile

There total 1 articles about (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-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:

sulfanilamide (63-74-1) + 3-Hydroxy-2-naphthoic acid (92-70-6) → N-(3-hydroxy-[2]naphthoyl)-sulfanilic acid amide (5649-71-8)

Guidance literature:

With xylene; phosphorus trichloride;

upstream raw materials:

sulfanilamide

3-Hydroxy-2-naphthoic acid

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