2-(2-Nitrophenyl)butanedioic acid

Base Information

• Chemical Name: 2-(2-Nitrophenyl)butanedioic acid
• CAS No.: 6332-94-1
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.1816
• NSC Number: 38777
• DSSTox Substance ID: DTXSID70284739
• ChEMBL ID: CHEMBL1991276
• Mol file: 6332-94-1.mol

Synonyms:2-(2-nitrophenyl)butanedioic acid;NSC38777;6332-94-1;NSC-38777;o-nitrophenyl succinic acid;Oprea1_199704;Oprea1_491853;SCHEMBL7263686;2-(2-Nitrophenyl)succinic acid;CHEMBL1991276;DTXSID70284739;AKOS000505156;AKOS030483667;NCI60_003694;2-(2-(hydroxy(oxido)amino)phenyl)succinic acid;EN300-1851428;SR-01000357933;SR-01000357933-1

Chemical Property of 2-(2-Nitrophenyl)butanedioic acid

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Boiling Point: 417.1°C at 760 mmHg
• Flash Point: 181.5°C
• Density: 1.522g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 239.04298701
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Nitrophenyl)butanedioic acid

There total 7 articles about 2-(2-Nitrophenyl)butanedioic acid 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:

2-phenylsuccinic acid (635-51-8,10424-29-0) → 4-Nitrophenylsuccinic acid (21021-53-4) + (2-nitro-phenyl)-succinic acid (6332-94-1)

Guidance literature:

With nitric acid; at 0 ℃;

Reference yield:

2-phenylsuccinic acid (635-51-8,10424-29-0) + nitric acid (7697-37-2,78989-43-2) → 4-Nitrophenylsuccinic acid (21021-53-4) + (2-nitro-phenyl)-succinic acid (6332-94-1)

Guidance literature:

at 0 ℃;

Reference yield:

2,3-dicyano-3-(2-nitro-phenyl)-propionic acid methyl ester (412033-51-3) → (2-nitro-phenyl)-succinic acid (6332-94-1)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

2-phenylsuccinic acid

2,3-dicyano-3-(2-nitro-phenyl)-propionic acid methyl ester

ethyl 2,3-dicyano-3-(2-nitrophenyl)propanoate

nitric acid

Downstream raw materials:

2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid