N-[3-(aminomethyl)phenyl]methanesulfonamide

Base Information

• Chemical Name: N-[3-(aminomethyl)phenyl]methanesulfonamide
• CAS No.: 114100-09-3
• Molecular Formula: C8H12 N2 O2 S
• Molecular Weight: 200.261
• Hs Code.: 2935009090
• European Community (EC) Number: 813-594-9
• DSSTox Substance ID: DTXSID80440884
• Wikidata: Q82257351
• Mol file: 114100-09-3.mol

Synonyms:114100-09-3;N-[3-(aminomethyl)phenyl]methanesulfonamide;N-(3-(Aminomethyl)phenyl)methanesulfonamide;N-(3-AMINOMETHYL-PHENYL)-METHANESULFONAMIDE;N-(3-Aminomethyl-phenyl)methanesulfonamide;SCHEMBL2284909;3-methylsulphonylaminobenzylamine;3-methylsulphonylarninobenzylamine;DTXSID80440884;FPVJHDMFGIXROX-UHFFFAOYSA-N;MFCD05663962;AKOS000264569;AB22070;N-(3-aminomethylphenyl)methanesulfonamide;BS-13795;CS-0303718;FT-0693684;EN300-36234;A803134;N-(3-aminomethyl-phenyl)-methanesulfonamide, AldrichCPR

Chemical Property of N-[3-(aminomethyl)phenyl]methanesulfonamide

Chemical Property:

• Boiling Point: 353.0±44.0 °C(Predicted)
• PKA: 7.14±0.10(Predicted)
• PSA: 80.57000
• Density: 1.335±0.06 g/cm3(Predicted)
• LogP: 2.37090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

N-[3-(Aminomethyl)phenyl]methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CN

Technology Process of N-[3-(aminomethyl)phenyl]methanesulfonamide

There total 3 articles about N-[3-(aminomethyl)phenyl]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%

N-[3-(azidomethyl)phenyl]methanesulfonamide (565448-32-0) → N-(3-aminomethylphenyl)-methanesulfonamide (114100-09-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 2h;

DOI:10.1021/jm030089u

Reference yield:

3-aminobenzenemethanol (1877-77-6) → N-(3-aminomethylphenyl)-methanesulfonamide (114100-09-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / LiCl; 2,6-lutidine / dimethylformamide / 5 h / 20 °C

2: 95 percent / NaN₃ / dimethylformamide / 7 h / Heating

3: 99 percent / H₂ / Pd/C / methanol / 2 h

With 2,6-dimethylpyridine; sodium azide; hydrogen; lithium chloride; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm030089u

Reference yield:

N-[3-(chloromethyl)phenyl]methanesulfonamide (362529-31-5) → N-(3-aminomethylphenyl)-methanesulfonamide (114100-09-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NaN₃ / dimethylformamide / 7 h / Heating

2: 99 percent / H₂ / Pd/C / methanol / 2 h

With sodium azide; hydrogen; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm030089u

upstream raw materials:

N-[3-(azidomethyl)phenyl]methanesulfonamide

3-aminobenzenemethanol

N-[3-(chloromethyl)phenyl]methanesulfonamide

Downstream raw materials:

N-{3-[(methylsulfonyl)amino]benzyl}-4-[(trifluoromethyl)thio]benzamide

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