7501-68-0

Basic information

• Product Name: 4-(acetylamino)benzene-1,3-dicarboxylic acid
• CAS NO: 7501-68-0
• Molecular Formula: C₁₀H₉NO₅
• Molecular Weight: 223.1822
• Mol File: 7501-68-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 544.6°C at 760 mmHg
• Flash Point: 283.2°C
• Density: 1.512g/cm³
• Vapor Pressure: 1.08E-12mmHg at 25°C
• Refractive Index: 1.658
• CAS DataBase Reference: 4-(acetylamino)benzene-1,3-dicarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(acetylamino)benzene-1,3-dicarboxylic acid(7501-68-0)
• EPA Substance Registry System: 4-(acetylamino)benzene-1,3-dicarboxylic acid(7501-68-0)

Safety Data

• Hazardous Substances Data: 7501-68-0(Hazardous Substances Data)

Upstream product

• 2050-43-3 N-(2,4-dimethylphenyl)acetamide 
• 3546-11-0 3,3'-dimethyl-4,4'-diacetylaminobiphenyl 
• 33890-03-8 4-aminoisophthalic acid 
• 108-24-7 acetic anhydride 
• 4315-09-7 4-nitroisophthalic acid 
• 95-68-1 2,4-Xylidine 

Downstream Products

• 58867-72-4 4-acetylamino-isophthalic acid dimethyl ester 
• 63746-12-3 dimethyl 4-aminoisophthalate 
• 63746-25-8 4-amino-benzene-1,3-dicarboxylic acid,1-methyl ester 
• 33890-03-8 4-aminoisophthalic acid 
• 67081-72-5 6-Carboxy-2-methyl-3,1-benzoxazin-4-on 
• 5985-24-0 dimethyl 4-hydroxyisophthalate 
• 636-46-4 4-hydroxyisophthalic acid 
• 64018-94-6 diethyl 4-aminoisophthalate 
• 871886-64-5 4-(acetyl-methyl-amino)-isophthalic acid 
• 79043-89-3 4-acetylamino-isophthalic acid diethyl ester 
• 872266-70-1 4-amino-isophthalic acid-1-ethyl ester 

Relevant articles and documents

Pyrazolone-quinazolone hybrids: A novel class of human 4-hydroxyphenylpyruvate dioxygenase inhibitors

4-Hydroxyphenylpyruvate dioxygenase (HPPD), converting 4-hydroxyphenylpyruvate acid to homogentisate, is an important target for treating type I tyrosinemia and alkaptonuria due to its significant role in tyrosine catabolism. However, only one commercial drug, NTBC, also known as nitisinone, has been available for clinical use so far. Herein, we have elucidated the structure-based design of a series of pyrazolone-quinazolone hybrids that are novel potent human HPPD inhibitors through the successful integration of various techniques including computational simulations, organic synthesis, and biochemical characterization. Most of the new compounds displayed potent inhibitory activity against the recombinant human HPPD in nanomolar range. Compounds 3h and 3u were identified as the most potent candidates with Kivalues of around 10 nM against human HPPD, about three-fold more potent than NTBC. Molecular modeling indicated that the interaction between the pyrazolone ring and ferrous ion, and the hydrophobic interaction of quinazolone with its surrounding residues, such as Phe347 and Phe364, contributed greatly to the high potency of these inhibitors. Therefore, compounds 3h and 3u could be potentially useful for the treatment of type I tyrosinemia and other diseases with defects in tyrosine degradation.

Reactions of Amides with Potassium Permanganate in Neutral Aqueous Solution

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