Acetic acid, [(3-aminophenyl)amino]oxo-

Base Information

• Chemical Name: Acetic acid, [(3-aminophenyl)amino]oxo-
• CAS No.: 101-09-7
• Molecular Formula: C8H8 N2 O3
• Molecular Weight: 180.163
• Hs Code.: 2924299090
• European Community (EC) Number: 202-914-7
• NSC Number: 36979
• UNII: SO5S90U8XL
• DSSTox Substance ID: DTXSID2059225
• Nikkaji Number: J182.140G
• Wikidata: Q81988694
• Mol file: 101-09-7.mol

Synonyms:101-09-7;m-Aminooxanilic acid;Acetic acid, [(3-aminophenyl)amino]oxo-;2-(3-aminoanilino)-2-oxoacetic acid;Oxanilic acid, m-amino-;Oxanilic acid, 3'-amino-;[(3-AMINOPHENYL)AMINO]OXOACETIC ACID;((3-Aminophenyl)amino)oxoacetic acid;SO5S90U8XL;Acetic acid, ((3-aminophenyl)amino)oxo-;Acetic acid, 2-((3-aminophenyl)amino)-2-oxo-;EINECS 202-914-7;NSC 36979;NSC-36979;2-((3-aminophenyl)amino)-2-oxoacetic acid;2-[(3-Aminophenyl)amino]-2-oxoacetic acid;UNII-SO5S90U8XL;SCHEMBL9137811;DTXSID2059225;NSC36979;AKOS006325428

Chemical Property of Acetic acid, [(3-aminophenyl)amino]oxo-

Chemical Property:

• Melting Point: 245 °C (decomp)
• Boiling Point: °Cat760mmHg
• PKA: 1.96±0.20(Predicted)
• Flash Point: °C
• PSA: 92.42000
• Density: 1.508g/cm³
• LogP: 0.94610
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)C(=O)O)N

Technology Process of Acetic acid, [(3-aminophenyl)amino]oxo-

There total 4 articles about Acetic acid, [(3-aminophenyl)amino]oxo- 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:

oxalic acid dihydrate (6153-56-6) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → formic acid-(3-amino-anilide) (6262-24-4) + (3-amino-phenyl)-oxalamic acid (101-09-7)

Guidance literature:

With glycerol; at 140 ℃;

DOI:10.1039/jr9410000121

Reference yield:

oxalic acid dihydrate (6153-56-6) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → (3-amino-phenyl)-oxalamic acid (101-09-7)

Guidance literature:

at 115 - 140 ℃;

Reference yield:

oxalic acid (144-62-7,97993-78-7) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → (3-amino-phenyl)-oxalamic acid (101-09-7)

Guidance literature:

upstream raw materials:

oxalic acid

m-phenylenediamine

oxalic acid dihydrate

Downstream raw materials:

3-hydrazino-aniline

m-aminophenyl azide

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