N-(3-cyanophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(3-cyanophenyl)methanesulfonamide
• CAS No.: 50790-30-2
• Molecular Formula: C8H8N2O2S
• Molecular Weight: 196.23
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID30395173
• Wikidata: Q82195085
• Mol file: 50790-30-2.mol

Synonyms:50790-30-2;N-(3-cyanophenyl)methanesulfonamide;3-(METHANESULFONYLAMINO)BENZONITRILE;Methanesulfonamide, N-(3-cyanophenyl)-;MFCD00116199;SCHEMBL1291527;DTXSID30395173;CNTYWEJSOJXQKO-UHFFFAOYSA-N;AKOS000199865;N-(3-cyano-phenyl)-methanesulfonamide;AS-31534;SY003543;CS-0205394;FT-0705747;EN300-26706;AB00037678-01;A871455;Z45702495;METHYL3-(4-NITROPHENOXY)-2-THIOPHENECARBOXYLATE

Chemical Property of N-(3-cyanophenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 7.26E-05mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 343°C at 760 mmHg
• Flash Point: 161.2°C
• PSA: 78.34000
• Density: 1.36g/cm³
• LogP: 2.08358
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.03064868
• Heavy Atom Count: 13
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

3-(Methanesulfonylamino)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-(3-cyanophenyl)methanesulfonamide

There total 2 articles about N-(3-cyanophenyl)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%

methanesulfonyl chloride (124-63-0) + m-cyanoaniline (2237-30-1) → N-(3-cyanophenyl)methanesulfonamide (50790-30-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 4h;

DOI:10.1021/jacs.8b08008

Reference yield:

→ N-(3-cyanophenyl)methanesulfonamide (50790-30-2)

Guidance literature:

m-NH2-C6H4-CN, CH3SO2Cl;

DOI:10.1021/jo00922a019

Reference yield: 95.0%

N-(3-cyanophenyl)methanesulfonamide (50790-30-2) + methyl iodide (74-88-4) → N-(3-cyanophenyl)-N-methylmethanesulfonamide (597561-37-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jacs.8b08008

upstream raw materials:

methanesulfonyl chloride

m-cyanoaniline

Downstream raw materials:

C₁₅H₁₄N₂O₂S

N-(3-cyanophenyl)-N-methylmethanesulfonamide

N-(3-(aminomethyl)phenyl)-N-methylmethanesulfonamide

C₂₅H₂₈F₃N₅O₆S

Refernces

• 1、 Cromm, Philipp M.,Samarasinghe, Kusal T. G.,Hines, John,Crews, Craig M.. "Addressing Kinase-Independent Functions of Fak via PROTAC-Mediated Degradation". supporting information. p. 17019 - 17026. Retrieved 2019/01/04.
• 2、 -. "PYRROLOPYRIMIDINES AS FAK AND ALK INHIBITERS FOR TREATMENT OF CANCERS AND OTHER DISEASES". Page/Page column 66. . Retrieved 2012/04/23.