N-(4-Aminobutyl)-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(4-Aminobutyl)-2-nitrobenzenesulfonamide
• CAS No.: 211512-13-9
• Molecular Formula: C10H15 N3 O4 S
• Molecular Weight: 273.313
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30462394
• Nikkaji Number: J1.348.703K
• Wikidata: Q82286924
• Mol file: 211512-13-9.mol

Synonyms:N-(4-Aminobutyl)-2-nitrobenzenesulfonamide;211512-13-9;1-Amino-4-(2-nitrobenzenesulfonamido)butane;N-(4-aminobutyl)-2-nitrobenzene-1-sulfonamide;N-(o-Ns)-1,4-diaminobutane;SCHEMBL7899203;DTXSID30462394;AKOS010115121;SB81759;CS-0269471;N-(2-Nitrobenzenesulfonyl)-1,4-butanediamine;T70560;EN300-1168953;J-013883

Chemical Property of N-(4-Aminobutyl)-2-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.07E-08mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 461.5°C at 760 mmHg
• Flash Point: 232.9°C
• PSA: 126.39000
• Density: 1.332g/cm³
• LogP: 3.30720
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 273.07832714
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Aminobutyl)-2-nitrobenzenesulfonamide >95.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCCN

Technology Process of N-(4-Aminobutyl)-2-nitrobenzenesulfonamide

There total 4 articles about N-(4-Aminobutyl)-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: 97.0%

2,4-Dinitro-N-[4-(2-nitro-benzenesulfonylamino)-butyl]-benzenesulfonamide → N-(4-aminobutan-1-yl)-2-nitrobenzenesulfonamide (211512-13-9)

Guidance literature:

With 2-hydroxyethanethiol; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1055/s-2001-15158

Reference yield: 77.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + 1,4-diaminobutane (110-60-1) → N-(4-aminobutan-1-yl)-2-nitrobenzenesulfonamide (211512-13-9)

Guidance literature:

In ethanol; at -20 ℃;

DOI:10.1016/S0040-4039(99)00851-5

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → N-(4-aminobutan-1-yl)-2-nitrobenzenesulfonamide (211512-13-9)

Guidance literature:

With triethylamine; In dichloromethane; chloroform; water;

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

1,4-diaminobutane

(+/-)-2-pentanol

Downstream raw materials:

1-(2-nitrobenzenesulfonyl)amino-4-(tert-butoxycarbonyl)aminobutane

N-[N^α-(tert-butoxycarbonyl)-L-asparaginyl]-N'-(2-nitrobenzenesulfonyl)-1,4-diaminopentane

N-(2-nitrobenzenesulfonyl)-N'-(benzyloxycarbonyl)-1,4-diaminobutane

N-[(2-nitrophenyl)sulfonyl]-N¹-[(2-trimethylsilyl)ethoxycarbonyl]-1,4-butanediamine