3-Amino-n-methyl-4-(methylamino)benzenesulfonamide

Base Information

• Chemical Name: 3-Amino-n-methyl-4-(methylamino)benzenesulfonamide
• CAS No.: 66315-14-8
• Molecular Formula: C₈H₁₃N₃O₂S
• Molecular Weight: 215.276
• NSC Number: 119949
• DSSTox Substance ID: DTXSID30297986
• Wikidata: Q82039522
• ChEMBL ID: CHEMBL4925930

Synonyms:66315-14-8;3-amino-n-methyl-4-(methylamino)benzenesulfonamide;3-amino-N-methyl-4-(methylamino)benzene-1-sulfonamide;3-amino-N-methyl-4-methylamino-benzenesulfonamide;3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide;NSC119949;CHEMBL4925930;SCHEMBL17938382;DTXSID30297986;AKOS009487979;NSC-119949;SB78959;EN300-61085;Z424800924;Q96

Chemical Property of 3-Amino-n-methyl-4-(methylamino)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 5.39E-07mmHg at 25°C
• Boiling Point: 411.9°Cat760mmHg
• Flash Point: 202.9°C
• Density: 1.33g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.07284784
• Heavy Atom Count: 14
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)S(=O)(=O)NC)N

Technology Process of 3-Amino-n-methyl-4-(methylamino)benzenesulfonamide

There total 2 articles about 3-Amino-n-methyl-4-(methylamino)benzenesulfonamide 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:

4-methylamino-3-nitro-benzenesulfonic acid methylamide (68502-28-3) → 3-amino-N-methyl-4-(methylamino)benzenesulfonamide (66315-14-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 50 ℃; for 16h;

DOI:10.1021/acs.jmedchem.5b00931

Reference yield:

→ 3-amino-N-methyl-4-(methylamino)benzenesulfonamide (66315-14-8)

Guidance literature:

Reference yield: 15.0%

3-amino-N-methyl-4-(methylamino)benzenesulfonamide (66315-14-8) + 4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-methyl-4-(methylamino)benzenesulfonamide

Guidance literature:

With silver trifluoromethanesulfonate; Heating;

DOI:10.1021/acs.jmedchem.5b00931

upstream raw materials:

4-methylamino-3-nitro-benzenesulfonic acid methylamide

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