4-amino-N-isobutylbenzenesulfonamide

Base Information

• Chemical Name: 4-amino-N-isobutylbenzenesulfonamide
• CAS No.: 53668-36-3
• Molecular Formula: C10H16N2O2S
• Molecular Weight: 228.315
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID701256154
• Nikkaji Number: J666.288I
• ChEMBL ID: CHEMBL1883232
• Mol file: 53668-36-3.mol

Synonyms:4-amino-N-isobutylbenzenesulfonamide;53668-36-3;4-amino-N-(2-methylpropyl)benzenesulfonamide;Oprea1_752032;MLS000714773;SCHEMBL6790764;CHEMBL1883232;DTXSID701256154;HMS2697E06;N-Isobutyl-p-aminobenzenesulfonamide;BBL013588;MFCD03753719;STK408612;AKOS000141905;SB79665;SMR000274752;VS-03877;4-Amino-N-(2-methylpropyl)benzenesulfamide;CS-0315856;FT-0709492;4-amino-N-(2-methylpropyl)benzene-1-sulfonamide;SR-01000327379;SR-01000327379-1

Chemical Property of 4-amino-N-isobutylbenzenesulfonamide

Chemical Property:

• PSA: 80.57000
• LogP: 3.25600
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-N-isobutylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-amino-N-isobutylbenzenesulfonamide

There total 5 articles about 4-amino-N-isobutylbenzenesulfonamide 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: 86.0%

N-isobutyl-4-nitrobenzenesulfonamide (89840-80-2) → 4-amino-N-isobutylbenzenesulfonamide (53668-36-3)

Guidance literature:

With hydrogenchloride; tin; In ethanol; water; Reflux;

DOI:10.1016/j.ejmech.2015.10.050

Reference yield:

4-aminobenzenesulfonyl chloride (24939-24-0) + isobutylamine (78-81-9) → 4-amino-N-isobutylbenzenesulfonamide (53668-36-3)

Guidance literature:

With triethylamine; In chloroform; 1.) RT, 1 h, 2.) reflux, 1 h;

DOI:10.1021/jm960871c

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-amino-N-isobutylbenzenesulfonamide (53668-36-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 20 °C

2: hydrogenchloride; tin / ethanol; water / Reflux

With pyridine; hydrogenchloride; tin; In ethanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2015.10.050

upstream raw materials:

4-aminobenzenesulfonyl chloride

isobutylamine

4-chlorosulfonylbenzene isocyanate

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

6-[4-(Isobutylsulfamoyl)phenylazo]pyridoxal-5-phosphate

4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide

3-S-(N-tert-butyloxyformamido)-[2R-hydroxy-1-[(4-aminophenylsulfonyl)(2-methylpropyl)]amino]-4-phenylbutane