4-{[4-(Acetylamino)phenyl]amino}-4-oxobutanoic acid

Base Information

• Chemical Name: 4-{[4-(Acetylamino)phenyl]amino}-4-oxobutanoic acid
• CAS No.: 188011-68-9
• Molecular Formula: C₁₂H₁₄N₂O₄
• Molecular Weight: 250.254
• DSSTox Substance ID: DTXSID901225242
• Mol file: 188011-68-9.mol

Synonyms:188011-68-9;4-{[4-(acetylamino)phenyl]amino}-4-oxobutanoic acid;4-((4-acetamidophenyl)amino)-4-oxobutanoic acid;Butanoic acid, 4-[[4-(acetylamino)phenyl]amino]-4-oxo-;4-[4-(acetylamino)anilino]-4-oxobutanoic acid;4-[[4-(Acetylamino)phenyl]amino]-4-oxobutanoic acid;CBMicro_009363;4-(4-acetamidoanilino)-4-oxobutanoic acid;Oprea1_252215;Oprea1_703388;SCHEMBL6173694;DTXSID901225242;SMSF0005428;STK075169;AKOS000487616;CB12131;CCG-252991;BIM-0009289.P001;CS-0277232;Z56176888;F0465-0011

Chemical Property of 4-{[4-(Acetylamino)phenyl]amino}-4-oxobutanoic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 250.09535693
• Heavy Atom Count: 18
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

4-[4-(Acetylamino)anilino]-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)O

Technology Process of 4-{[4-(Acetylamino)phenyl]amino}-4-oxobutanoic acid

There total 1 articles about 4-{[4-(Acetylamino)phenyl]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: 73.0%

succinic acid anhydride (108-30-5) + N-acetyl-p-phenylenediamine (122-80-5) → N-(4-acetylamino-phenyl)-succinamic acid (188011-68-9)

Guidance literature:

In acetone; for 4h; Heating;

DOI:10.1007/BF02223742

upstream raw materials:

succinic acid anhydride

N-acetyl-p-phenylenediamine