3-amino-N-methylbenzenesulfonamide

Base Information

• Chemical Name: 3-amino-N-methylbenzenesulfonamide
• CAS No.: 459434-40-3
• Molecular Formula: C₇H₁₀N₂O₂S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00428407
• Wikidata: Q82241238
• Mol file: 459434-40-3.mol

Synonyms:3-amino-N-methylbenzenesulfonamide;459434-40-3;N-METHYL 3-AMINOBENZENESULFONAMIDE;3-amino-N-methylbenzene-1-sulfonamide;SCHEMBL687474;DTXSID00428407;SFCWILLFDXUKRB-UHFFFAOYSA-N;3-Amino-N-methyl-benzenesulfonamide;N-Methyl-3-aminobenzene Sulfonamide;MFCD07363815;STL411810;AKOS000139430;AB30826;BB 0220657;CS-0143137;FT-0704729;EN300-57850;I10118;A872308

Chemical Property of 3-amino-N-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.64E-06mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 375.7 °C at 760 mmHg
• PKA: 11.66±0.30(Predicted)
• Flash Point: 181 °C
• PSA: 80.57000
• Density: 1.308 g/cm³
• LogP: 2.22980
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.04629874
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-N-methylbenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-amino-N-methylbenzenesulfonamide

There total 5 articles about 3-amino-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: 99.0%

N-methyl-3-nitrobenzenesulfonamide (58955-78-5) → 3-amino-N-methylbenzenesulfonamide (459434-40-3)

Guidance literature:

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In tetrahydrofuran; methanol; at 0 ℃; for 0.333333h;

DOI:10.1016/j.bmc.2010.06.038

Reference yield: 92.0%

N-methyl-3-bromobenzenesulfonamide (153435-79-1) → 3-amino-N-methylbenzenesulfonamide (459434-40-3)

Guidance literature:

With ammonium hydroxide; copper(l) chloride; at 120 ℃; for 8h; Schlenk technique;

DOI:10.1021/acs.orglett.7b02723

Reference yield: 81.0%

→ 3-amino-N-methylbenzenesulfonamide (459434-40-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; under 760.051 Torr;

upstream raw materials:

N-methyl-3-nitrobenzenesulfonamide

3-nitrobenzenesulphonyl chloride

N-methyl-3-bromobenzenesulfonamide

3-bromobenzenesulfonamide

Downstream raw materials:

3-methyl-N-(3-(methylsulfamoyl)phenyl)-D-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide

3-methyl-N-(3-(methylsulfamoyl)phenyl)-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide

3-({4-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}amino)-N-methylbenzenesulfonamide

N-methyl-3-({4-[(3-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide

Refernces

• 1、 Abdelgawad, Mohamed A.,Al-Sanea, Mohammad M.,Alharbi, Khalid S.,Ali Farahat, Ibrahim,Alzarea, Abdulaziz I.,Alzarea, Sami I.,Bakr, Rania B,El Kerdawy, Ahmed M.,Eldehna, Wagdy M.,Elkamhawy, Ahmed,Elshemy, Heba A. H.,Joo Roh, Eun,Lee, Kyeong,Paik, Sora,Syed Nasir Abbas, Bukhari. "Sulfonamide-based 4-anilinoquinoline derivatives as novel dual Aurora kinase (AURKA/B) inhibitors: Synthesis, biological evaluation and in silico insights". . . Retrieved 2020/05/08.
• 2、 -. "SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS". Page/Page column 105; 106; 108; 109. . Retrieved 2020/08/28.