2-Amino-5-nitrobenzenesulfonamide

Base Information

• Chemical Name: 2-Amino-5-nitrobenzenesulfonamide
• CAS No.: 54734-85-9
• Molecular Formula: C6H7N3O4S
• Molecular Weight: 217.205
• ChEMBL ID: CHEMBL469536
• DSSTox Substance ID: DTXSID40571961
• Nikkaji Number: J962.766I
• Wikidata: Q82460166
• Mol file: 54734-85-9.mol

Synonyms:2-amino-5-nitrobenzenesulfonamide;54734-85-9;2-Amino-5-nitrobenzene-1-sulfonamide;SCHEMBL392987;CHEMBL469536;2-amino-5-nitrobezenesulfonamide;DTXSID40571961;SKATTZSUUSDLRS-UHFFFAOYSA-N;2-amino-5-nitro-benzenesulfonamide;MFCD16688596;AKOS011424944;AS-40349;CS-0215091;EN300-220859

Chemical Property of 2-Amino-5-nitrobenzenesulfonamide

Chemical Property:

• 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: 1
• Exact Mass: 217.01572689
• Heavy Atom Count: 14
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-nitrobenzenesulfonamide ^*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)N)N

Technology Process of 2-Amino-5-nitrobenzenesulfonamide

There total 17 articles about 2-Amino-5-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: 90.0%

2-chloro-5-nitrobenzenesulfonamide (96-72-0) → 2-amino-5-nitrobenzenesulfonamide (54734-85-9)

Guidance literature:

With ammonium hydroxide; ammonium carbonate; copper(II) sulfate; at 120 ℃; for 4h;

DOI:10.1016/j.bmcl.2007.01.072

Reference yield: 65.0%

2-amino-5-nitro-benzenesulfonic acid (96-75-3) → 2-amino-5-nitrobenzenesulfonamide (54734-85-9)

Guidance literature:

2-amino-5-nitro-benzenesulfonic acid; With trichlorophosphate; In sulfolane; at 80 - 120 ℃;

With ammonium hydroxide; In sulfolane; water; at 10 - 95 ℃;

Reference yield: 58.0%

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (13338-00-6) → 2-amino-5-nitrobenzenesulfonamide (54734-85-9)

Guidance literature:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide; With sulfuric acid; nitric acid; In water; at 20 ℃; for 20h;

With sulfuric acid; In water; at 130 ℃;

DOI:10.1016/S0968-0896(01)00405-9

upstream raw materials:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide

2-chloro-5-nitrobenzenesulfonamide

2-Amino-5-nitro-benzolsulfonylchlorid

H₂NC₆H₃(Cl)NO₂

Downstream raw materials:

2,5-diaminobenzenesulfonamide

C₁₃H₈N₄O₆S

C₁₃H₁₂N₄O₂S

C₃₇H₄₈N₈O₁₀S

Refernces

• 1、 -. "FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY". Page/Page column 188. . Retrieved 2019/03/17.
• 2、 Ismail, Mohamed A.H.,Abou El Ella, Dalal A.,Abouzid, Khaled A.M.,Mahmoud, Amr H.. "Erratum: Integrated structure-based activity prediction model of benzothiadiazines on various genotypes of HCV NS5b polymerase (1a, 1b and 4) and its application in the discovery of new derivatives (Bioorganic and Medicinal Chemistry (2012) 20:7 (2455-2478))". supporting information. p. 5647 - 5647. Retrieved 2013/09/02.