N-(3-Aminopropyl)-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(3-Aminopropyl)-2-nitrobenzenesulfonamide
• CAS No.: 240423-09-0
• Molecular Formula: C9H13 N3 O4 S
• Molecular Weight: 259.286
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID70448930
• Nikkaji Number: J1.348.702B
• Wikidata: Q82268151
• Mol file: 240423-09-0.mol

Synonyms:N-(3-Aminopropyl)-2-nitrobenzenesulfonamide;240423-09-0;N-(3-aminopropyl)-2-nitrobenzene-1-sulfonamide;1-Amino-3-(2-nitrobenzenesulfonamido)propane;SCHEMBL12720636;DTXSID70448930;MFCD04117908;AKOS000193425;BS-16761;CS-0160429;FT-0644091;D83443;EN300-1169723;J-015328

Chemical Property of N-(3-Aminopropyl)-2-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 448.997°C at 760 mmHg
• PKA: 9.18±0.40(Predicted)
• Flash Point: 225.346°C
• PSA: 126.39000
• Density: 1.375g/cm³
• LogP: 2.91710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 259.06267708
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

98%min ^*data from raw suppliers

N-(3-AMINOPROPYL)-2-NITROBENZENESULFONAMIDE 95.00% ^*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)NCCCN

Technology Process of N-(3-Aminopropyl)-2-nitrobenzenesulfonamide

There total 1 articles about N-(3-Aminopropyl)-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: 83.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + Trimethylenediamine (109-76-2,54018-94-9) → N-(6-aminopropyl)-2-nitrobenzenesulfonamide (240423-09-0)

Guidance literature:

In ethanol; for 0.5h;

DOI:10.1248/cpb.48.1570

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + N-(6-aminopropyl)-2-nitrobenzenesulfonamide (240423-09-0) → N-(tert-butoxycarbonyl)-N'-(2-nitrobenzenesulfonyl)-1,3-propanediamine (240423-18-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

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

Reference yield: 95.0%

C15H17NO3 (125213-31-2) + N-(6-aminopropyl)-2-nitrobenzenesulfonamide (240423-09-0) → N-[3-(2-nitrobenzenesulfonyl)amino-propan-1-yl]-1H-indole-3-acetamide (312283-38-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1248/cpb.48.1570

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

Trimethylenediamine

Downstream raw materials:

N-(tert-butoxycarbonyl)-N'-(2-nitrobenzenesulfonyl)-1,3-propanediamine

3-[{3-[(5-bromopentyl)(2-nitrobenzenesulfonyl)amino]propyl}(2-nitrobenzenesulfonyl)amino]-N-[3-(2-nitrobenzenesulfonylamino)propyl]butyramide

3-[{3-[[5-(tert-butyldimethylsilanyloxy)pentyl](2-nitrobenzenesulfonyl)amino]propyl}(2-nitrobenzenesulfonyl)amino]-N-[3-(2-nitrobenzenesulfonylamino)propyl]butyramide

N-[3-(2-nitrobenzenesulfonyl)amino-propan-1-yl]-1H-indole-3-acetamide

Refernces

• 1、 Cankarova, Nadezda,Funk, Petr,Hlavac, Jan,Soural, Miroslav. "Novel preloaded resins for solid-phase biotinylation of carboxylic acids". supporting information; experimental part. p. 5782 - 5788. Retrieved 2011/12/14.
• 2、 Anderson, Marc O.,Sherrill, John,Madrid, Peter B.,Liou, Ally P.,Weisman, Jennifer L.,DeRisi, Joseph L.,Guy, R. Kiplin. "Parallel synthesis of 9-aminoacridines and their evaluation against chloroquine-resistant Plasmodium falciparum". . p. 334 - 343. Retrieved 2007/10/03.