2-Amino-5-nitrothiobenzamide

Base Information

• Chemical Name: 2-Amino-5-nitrothiobenzamide
• CAS No.: 25026-97-5
• Molecular Formula: C7H7 N3 O2 S
• Molecular Weight: 197.217
• Hs Code.: 2930909090
• European Community (EC) Number: 246-572-7
• DSSTox Substance ID: DTXSID1067043
• Nikkaji Number: J35.505D
• Mol file: 25026-97-5.mol

Synonyms:2-Amino-5-nitrothiobenzamide;25026-97-5;2-amino-5-nitrobenzenecarbothioamide;2-amino-5-nitrobenzene-1-carbothioamide;2-Amino-5-nitrobenzothioamide;Benzenecarbothioamide, 2-amino-5-nitro-;EINECS 246-572-7;SCHEMBL9580943;DTXSID1067043;SCHEMBL18913888;MFCD02258912;AKOS006282492;AC-10181;EN300-129193;W-110606

Chemical Property of 2-Amino-5-nitrothiobenzamide

Chemical Property:

• Vapor Pressure: 5.17E-08mmHg at 25°C
• Boiling Point: 442.1°Cat760mmHg
• Flash Point: 221.2°C
• PSA: 129.95000
• Density: 1.515g/cm³
• LogP: 2.61590
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.02589765
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99.3% ^*data from raw suppliers

2-Amino-5-nitrobenzothioamide 97% ^*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-])C(=S)N)N

Technology Process of 2-Amino-5-nitrothiobenzamide

There total 2 articles about 2-Amino-5-nitrothiobenzamide 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%

5-nitroanthranilonitrile (17420-30-3) → 2-amino-5-nitrobenzothioamide (25026-97-5)

Guidance literature:

With hydrogen sulfide; In pyridine; triethylamine; at 20 ℃;

DOI:10.1016/j.tetlet.2004.05.115

Reference yield:

→ 2-amino-5-nitrobenzothioamide (25026-97-5)

Guidance literature:

14 (R = 5-NO2, R3 = R4 = H), H2S; Meth. E;

Reference yield: 98.0%

2-amino-5-nitrobenzothioamide (25026-97-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 2-Amino-N-[1-dimethylamino-meth-(E)-ylidene]-5-nitro-thiobenzamide

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2004.05.115

upstream raw materials:

5-nitroanthranilonitrile

Refernces

• 1、 Manh, Gabriel Thia,Bakkali, Hicham,Maingot, Lucie,Pipelier, Muriel,Joshi, Uday,Pradère, Jean Paul,Sabelle, Stéphane,Tuloup, Remy,Dubreuil, Didier. "Concomitant ring contraction cyclization strategy for the synthesis of novel 4-oxo-4,5-dihydro-pyrroloquinolines". . p. 5913 - 5916. Retrieved 2007/10/03.