N-butyl-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-butyl-2-nitrobenzenesulfonamide
• CAS No.: 89840-64-2
• Molecular Formula: C10H14N2O4S
• Molecular Weight: 258.29400
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60385486
• Nikkaji Number: J2.207.123H
• Wikidata: Q82178301
• Mol file: 89840-64-2.mol

Synonyms:N-butyl-2-nitrobenzenesulfonamide;89840-64-2;CBDivE_014256;SCHEMBL8578058;DTXSID60385486;MFCD00577596;STK048111;N-butyl-2-nitrobenzene-1-sulfonamide;AKOS002935706;SB81453;BS-23935;CS-0211284;SR-01000200583;SR-01000200583-1;Z45516923

Chemical Property of N-butyl-2-nitrobenzenesulfonamide

Chemical Property:

• Melting Point: 61 °C
• Boiling Point: 406.6±47.0 °C(Predicted)
• PSA: 100.37000
• Density: 1.282±0.06 g/cm3(Predicted)
• LogP: 3.66810
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

N-BUTYL-2-NITROBENZENESULFONAMIDE 95.00% ^*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=C1[N+](=O)[O-]

Technology Process of N-butyl-2-nitrobenzenesulfonamide

There total 1 articles about N-butyl-2-nitrobenzenesulfonamide 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:

2-Nitrobenzenesulfonyl chloride (1694-92-4) + N-butylamine (109-73-9,85404-21-3) → N-n-butyl-2-nitrobenzenesulfonamide (89840-64-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1039/d1cc00793a

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: 68.0%

para-iodoanisole (696-62-8) + N-n-butyl-2-nitrobenzenesulfonamide (89840-64-2) + propargyl bromide (106-96-7) → C20H22N2O5S

Guidance literature:

N-n-butyl-2-nitrobenzenesulfonamide; propargyl bromide; With sodium hydride; In N,N-dimethyl-formamide; toluene; at 20 ℃; for 2h;

para-iodoanisole; With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; toluene; at 20 ℃; Further stages.;

DOI:10.1016/j.tet.2007.07.096

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

N-butylamine

Downstream raw materials:

2-amino-N-butylbenzenesulfonamide

N-butyl-N-(1-methyl-1H-pyrrol-2-yl)-2-nitro-benzenesulfonamide