2-Amino-4-oxo-4-(4-nitrophenyl)butanoic acid

Base Information

• Chemical Name: 2-Amino-4-oxo-4-(4-nitrophenyl)butanoic acid
• CAS No.: 153212-72-7
• Molecular Formula: C₁₀H₁₀N₂O₅
• Molecular Weight: 238.2
• DSSTox Substance ID: DTXSID501271724
• Nikkaji Number: J584.740K
• ChEMBL ID: CHEMBL157866
• Mol file: 153212-72-7.mol

Synonyms:153212-72-7;dl-2-amino-4-(4-nitrophenyl)-4-oxobutanoic acid;2-amino-4-(4-nitrophenyl)-4-oxobutanoic acid;2-Amino-4-oxo-4-(4-nitrophenyl)butanoic acid;CHEMBL157866;DTXSID501271724;AKOS017555149;alpha-Amino-4-nitro-gamma-oxobenzenebutanoic acid

Chemical Property of 2-Amino-4-oxo-4-(4-nitrophenyl)butanoic acid

Chemical Property:

• Boiling Point: 484.3±45.0 °C(Predicted)
• PKA: 2.01±0.23(Predicted)
• Density: 1.448±0.06 g/cm3(Predicted)
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 238.05897142
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

DL-2-AMINO-4-(4-NITROPHENYL)-4-OXOBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(C(=O)O)N)[N+](=O)[O-]

Technology Process of 2-Amino-4-oxo-4-(4-nitrophenyl)butanoic acid

There total 2 articles about 2-Amino-4-oxo-4-(4-nitrophenyl)butanoic 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: 66.0%

C18H18N2O6 (1415480-50-0) → C10H10N2O5 (1415480-75-9,153212-72-7)

Guidance literature:

With sodium periodate; triethylamine; In methanol; water; for 0.183333h; Sonication;

DOI:10.2478/s11696-012-0246-z

Reference yield:

(E)-4-(4-nitrophenyl)-4-oxobut-2-enoic acid (63104-97-2) → C10H10N2O5 (1415480-75-9,153212-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 24 h / 40 °C

2: sodium periodate; triethylamine / water; methanol / 0.18 h / Sonication

With sodium periodate; triethylamine; In methanol; water;

DOI:10.2478/s11696-012-0246-z

upstream raw materials:

C₁₈H₁₈N₂O₆

(E)-4-(4-nitrophenyl)-4-oxobut-2-enoic acid

Refernces