4-Amino-N-methylbenzeneethanesulfonamide

Base Information

• Chemical Name: 4-Amino-N-methylbenzeneethanesulfonamide
• CAS No.: 98623-16-6
• Molecular Formula: C9H14N2O2S
• Molecular Weight: 214.288
• Hs Code.: 2935009090
• European Community (EC) Number: 619-367-9
• DSSTox Substance ID: DTXSID60541747
• Wikidata: Q72439099
• Mol file: 98623-16-6.mol

Synonyms:98623-16-6;4-Amino-N-methylbenzeneethanesulfonamide;2-(4-aminophenyl)-N-methylethanesulfonamide;Benzeneethanesulfonamide, 4-amino-N-methyl-;2-(4-aminophenyl)-N-methyl-ethanesulfonamide;2-(4-aminophenyl)-N-methylethane-1-sulfonamide;MFCD11617304;SCHEMBL1275321;DTXSID60541747;SDXLSPCIRDEJKT-UHFFFAOYSA-N;AKOS015920300;GS-3758;SB79346;2-(4-Aminophenyl)-ethanesulfonic acid methylamide;2-(4-aminophenyl)ethane sulfonic acid methylamide;2-(4-amino-phenyl)-ethanesulfonic acid methylamide;J-514451

Chemical Property of 4-Amino-N-methylbenzeneethanesulfonamide

Chemical Property:

• Vapor Pressure: 1.43E-06mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 398.8 °C at 760 mmHg
• Flash Point: 195 °C
• PSA: 80.57000
• Density: 1.253 g/cm³
• LogP: 2.41340
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 214.07759887
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

98%, ^*data from raw suppliers

4-Amino-n-methylbenzeneethanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)CCC1=CC=C(C=C1)N

Technology Process of 4-Amino-N-methylbenzeneethanesulfonamide

There total 2 articles about 4-Amino-N-methylbenzeneethanesulfonamide 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: 90.0%

2-(4-nitro-phenyl)ethanesulfonic acid methylamide → 2-(4-amino-phenyl)ethanesulfonic acid methylamide (98623-16-6)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 19h; under 1034.32 Torr;

Reference yield:

→ 2-(4-amino-phenyl)ethanesulfonic acid methylamide (98623-16-6)

Guidance literature:

Reference yield: 95.0%

2-(4-amino-phenyl)ethanesulfonic acid methylamide (98623-16-6) + rimonabant acid (162758-35-2) → 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid [4-(2-methylsufamoylethyl)-phenyl] amide

Guidance literature:

rimonabant acid; With isobutyl chloroformate; In tetrahydrofuran; at -20 - -10 ℃; for 0.333333h;

2-(4-amino-phenyl)ethanesulfonic acid methylamide; In tetrahydrofuran; at -20 - -10 ℃; for 1h;

DOI:10.1080/00397911.2013.765483

Downstream raw materials:

2-(4-amino-3-bromo-phenyl)-ethanesulfonic acid methylamide

2-(4-amino-3-iodo-phenyl)ethanesulfonic acid methylamide

naratriptan hydrochloride

N-Methyl-1H-indole-5-ethanesulphonamide

Refernces

• 1、 -. "INHIBITORS OF C-FMS KINASE". Page/Page column 56-57. . Retrieved 2008/06/13.
• 2、 -. "5-substituted-3-aminoalkyl indole derivatives for migraine". . . Retrieved 2008/06/13.