2-amino-N-butylbenzenesulfonamide

Base Information

• Chemical Name: 2-amino-N-butylbenzenesulfonamide
• CAS No.: 436095-51-1
• Molecular Formula: C₁₀H₁₆N₂O₂S
• Molecular Weight: 228.315
• DSSTox Substance ID: DTXSID30405781
• Wikidata: Q82210488
• Mol file: 436095-51-1.mol

Synonyms:2-amino-N-butylbenzenesulfonamide;436095-51-1;SCHEMBL18989501;DTXSID30405781;MFCD04035390;AKOS000154282;SB76851;BS-28813;2-AMINO-N-BUTYLBENZENESULFONAMIDE,95+%

Chemical Property of 2-amino-N-butylbenzenesulfonamide

Chemical Property:

• PSA: 80.57000
• LogP: 3.40010
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

2-Amino-N-butylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNS(=O)(=O)C1=CC=CC=C1N

Technology Process of 2-amino-N-butylbenzenesulfonamide

There total 3 articles about 2-amino-N-butylbenzenesulfonamide 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: 71.0%

N-n-butyl-2-nitrobenzenesulfonamide (89840-64-2) → 2-amino-N-butylbenzenesulfonamide (436095-51-1)

Guidance literature:

With ammonium chloride; zinc; In methanol; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/d1cc00793a

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-amino-N-butylbenzenesulfonamide (436095-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 12 h / 0 - 20 °C

2: zinc; ammonium chloride / methanol / 0 - 20 °C / Inert atmosphere

With ammonium chloride; triethylamine; zinc; In methanol; dichloromethane;

DOI:10.1039/d1cc00793a

Reference yield:

→ 2-amino-N-butylbenzenesulfonamide (436095-51-1)

Guidance literature:

3-Propyl-3.4-dihydro-1.2.4-benzothiadiazin-1.1-dioxid, KBH4;

upstream raw materials:

N-n-butyl-2-nitrobenzenesulfonamide

2-Nitrobenzenesulfonyl chloride