N-(4-Cyano-2-fluorophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(4-Cyano-2-fluorophenyl)methanesulfonamide
• CAS No.: 401909-16-8
• Molecular Formula: C8H7FN2O2S
• Molecular Weight: 214.22
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60580590
• Wikidata: Q82471447
• Mol file: 401909-16-8.mol

Synonyms:N-(4-Cyano-2-fluorophenyl)methanesulfonamide;401909-16-8;N-(4-CYANO-2-FLUOROPHENYL)-METHANESULFONAMIDE;SCHEMBL2005491;DTXSID60580590;KULWFZPVQBHQEN-UHFFFAOYSA-N;BRA90916;AKOS017560270;SB77357;BS-28401;CS-0263762;N-(4-cyano-2-fluorophenyl)methanesulfona-mide;4-cyano-2-fluoro-1-methanesulfonylaminobenzene;A849642;N-(4-cyano-2-fluoro-phenyl)-methane sulphonamide

Chemical Property of N-(4-Cyano-2-fluorophenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 5.33E-05mmHg at 25°C
• Boiling Point: 347.6oC at 760 mmHg
• Flash Point: 164oC
• PSA: 78.34000
• Density: 1.44g/cm3
• LogP: 2.22268
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.02122681
• Heavy Atom Count: 14
• Complexity: 340

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Cyano-2-fluorophenyl)methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)C#N)F

Technology Process of N-(4-Cyano-2-fluorophenyl)methanesulfonamide

There total 6 articles about N-(4-Cyano-2-fluorophenyl)methanesulfonamide 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: 99.0%

zinc(II) cyanide (557-21-1) + 2-fluoro-4-iodo-1-methanesulfonylaminobenzene (143937-74-0) → N-(2-fluoro-4-cyanophenyl)methanesulfonamide (401909-16-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield: 87.0%

dicyanozinc (557-21-1) + 2-fluoro-4-iodo-1-methanesulfonylaminobenzene (143937-74-0) → N-(2-fluoro-4-cyanophenyl)methanesulfonamide (401909-16-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1124/mol.62.4.947

Reference yield: 84.0%

copper(l) cyanide + 2-fluoro-4-iodo-1-methanesulfonylaminobenzene (143937-74-0) → N-(2-fluoro-4-cyanophenyl)methanesulfonamide (401909-16-8)

Guidance literature:

In N,N-dimethyl-formamide; at 130 ℃; for 5h;

DOI:10.1002/bkcs.11992

upstream raw materials:

copper(I) cyanide

2-fluoro-4-iodo-1-methanesulfonylaminobenzene

dicyanozinc

2-fluro-4-iodoaniline

Downstream raw materials:

N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamide

3-fluoro-4-(methanosulfonylamino)benzyl ammonium acetate