4-[(4-Nitrophenyl)amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(4-Nitrophenyl)amino]-4-oxobutanoic acid
• CAS No.: 5502-63-6
• Molecular Formula: C10H10N2O5
• Molecular Weight: 238.2
• Hs Code.: 2924299090
• European Community (EC) Number: 666-155-7
• DSSTox Substance ID: DTXSID20377862
• Wikidata: Q82167225
• Mol file: 5502-63-6.mol

Synonyms:4-[(4-nitrophenyl)amino]-4-oxobutanoic acid;5502-63-6;4-(4-nitroanilino)-4-oxobutanoic acid;p-nitrosuccinanilic acid;4-((4-nitrophenyl)amino)-4-oxobutanoic acid;Oprea1_770308;SCHEMBL7640355;DTXSID20377862;TYVJAVSCQNUKPY-UHFFFAOYSA-N;MFCD00031339;STK081112;AKOS000296111;4-(4-nitrophenylamino)-4-oxobutanoic acid;4-((4-nitrophenyl)amino)-4-oxobutanoicacid;CS-0268073;EU-0001538;3-[(4-Nitrophenyl)aminocarbonyl]propanoic acid;SR-01000400730;SR-01000400730-1;Z56755408;F0358-0041

Chemical Property of 4-[(4-Nitrophenyl)amino]-4-oxobutanoic acid

Chemical Property:

• PSA: 112.22000
• LogP: 1.99430
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 238.05897142
• Heavy Atom Count: 17
• Complexity: 304

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-Nitrophenyl)amino]-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)[N+](=O)[O-]

Technology Process of 4-[(4-Nitrophenyl)amino]-4-oxobutanoic acid

There total 6 articles about 4-[(4-Nitrophenyl)amino]-4-oxobutanoic 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: 93.0%

succinic acid anhydride (108-30-5) + 4-nitro-aniline (100-01-6,104810-17-5) → p-nitrosuccinanilic acid (5502-63-6)

Guidance literature:

In acetone; for 4h; Heating;

DOI:10.1007/BF02223742

Reference yield:

succinic acid (110-15-6) + 4-nitro-aniline (100-01-6,104810-17-5) → p-nitrosuccinanilic acid (5502-63-6)

Guidance literature:

at 170 ℃;

DOI:10.1084/jem.56.3.399

Reference yield:

N-phenyl-succinamic acid (102-14-7) → p-nitrosuccinanilic acid (5502-63-6)

Guidance literature:

With oxalic acid; bei der Nitrierung;

upstream raw materials:

succinic acid anhydride

4-nitro-aniline

4-nitro-N-(phenylmethylene)benzenamine

N-phenyl-succinamic acid

Downstream raw materials:

4-((4-aminophenyl)amino)-4-oxobutanoic acid

1-(4-nitrophenyl)pyrrolidine-2,5-dione

N-(4-nitrophenyl)-4-oxo-4-(pyrrolidin-1-yl)butanamide

methyl 4-((4-nitrophenyl)amino)-4-oxobutanoate