4-(aminomethyl)-N-methylbenzenesulfonamide

Base Information

• Chemical Name: 4-(aminomethyl)-N-methylbenzenesulfonamide
• CAS No.: 101252-53-3
• Molecular Formula: C8H12N2O2S
• Molecular Weight: 200.261
• Hs Code.: 2935009090
• European Community (EC) Number: 851-624-2
• DSSTox Substance ID: DTXSID80586099
• Mol file: 101252-53-3.mol

Synonyms:4-(aminomethyl)-N-methylbenzenesulfonamide;101252-53-3;4-(Aminomethyl)-N-methylbenzene-1-sulfonamide;Benzenesulfonamide, 4-(aminomethyl)-N-methyl-;4-aminomethyl-N-methyl-benzenesulfonamide;SCHEMBL1134875;DTXSID80586099;4-(methylaminosulfonyl)benzylamine;DXALCZRZTHZBIB-UHFFFAOYSA-N;MFCD08337810;STL227879;AKOS000137916;CCG-356476;MCULE-4221138012;SB78394;BS-13806;DB-099538;CS-0248358;EN300-39669;G76124;J-000350;Z278051486

Chemical Property of 4-(aminomethyl)-N-methylbenzenesulfonamide

Chemical Property:

• Melting Point: 98-99 °C
• Boiling Point: 351.3±44.0 °C(Predicted)
• PKA: 11.59±0.30(Predicted)
• PSA: 80.57000
• Density: 1.251±0.06 g/cm3(Predicted)
• LogP: 2.22540
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

4-(Aminomethyl)-N-methylbenzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC=C(C=C1)CN

Technology Process of 4-(aminomethyl)-N-methylbenzenesulfonamide

There total 10 articles about 4-(aminomethyl)-N-methylbenzenesulfonamide 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: 95.0%

4-cyano-N-methylbenzenesulfonamide (56236-82-9) → 4-(aminomethyl)-N-methylbenzenesulfonamide (101252-53-3)

Guidance literature:

With platinum(IV) oxide; hydrogen; In methanol; at 20 ℃; for 16h; under 1551.49 Torr;

Reference yield: 72.0%

→ 4-(aminomethyl)-N-methylbenzenesulfonamide (101252-53-3)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 60 ℃; for 1h; Inert atmosphere;

With water; In tetrahydrofuran; at 20 ℃;

Reference yield:

4-(azidomethyl)-N-methylbenzenesulfonamide (864528-61-0) → 4-(aminomethyl)-N-methylbenzenesulfonamide (101252-53-3)

Guidance literature:

With cyclohexa-1,4-diene; 10 wt% Pd(OH)2 on carbon; In methanol; at 65 ℃; for 2h;

upstream raw materials:

4-cyano-N-methylbenzenesulfonamide

4-(azidomethyl)-N-methylbenzenesulfonamide

p-cyanobenzenesulfonyl chloride

4-(benzylsulfanyl)benzonitrile

Downstream raw materials:

6-bromo-1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide

1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide

1-(4-fluoro-phenyl)-6-methyl-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide

1-(4-fluoro-phenyl)-6-hydroxy-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide