76322-80-0

Basic information

• Product Name: Benzoic acid, 4-(3-oxo-1-butenyl)-, methyl ester
• CAS NO: 76322-80-0
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Mol File: 76322-80-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(3-oxo-1-butenyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(3-oxo-1-butenyl)-, methyl ester(76322-80-0)
• EPA Substance Registry System: Benzoic acid, 4-(3-oxo-1-butenyl)-, methyl ester(76322-80-0)

Safety Data

• Hazardous Substances Data: 76322-80-0(Hazardous Substances Data)

Upstream product

• 78-94-4 methyl vinyl ketone 
• 619-45-4 4-methoxycarbonyl aniline 
• 67-64-1 acetone 
• 1571-08-0 methyl 4-formylbenzoate 
• 1439-36-7 1-triphenylphosphoranylidene-2-propanone 

Downstream Products

• 146464-93-9 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid 
• 146464-95-1 pralatrexate 
• 74248-99-0 methyl 2-(4-methoxycarbonylphenyl)ethyl ketone 
• 20651-69-8 methyl 4-(n-butyl)benzoate 

Relevant articles and documents

RhIII-Catalyzed Synthesis of Highly Substituted 2-Pyridones using Fluorinated Diazomalonate

A RhIII-catalyzed strategy was developed for the rapid construction of highly substituted 2-pyridone scaffolds using α,β-unsaturated oximes and fluorinated diazomalonate. The reaction proceeds through direct, site-selective alkylation based on migratory insertion and subsequent cyclocondensation. A wide substrate scope with different functional groups was explored. The requirement of fluorinated diazomalonate was explored for this transformation. The developed methodology was further extended with the synthesis of the bioactive compound.

A PROCESS FOR PREPARING INTERMEDIATES OF 10-PROPARGYL-10-DEAZAAMINOPTERIN (PRALATREXATE) SYNTHESIS AND THE INTERMEDIATES THEREOF

A process for preparation of 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid and other key intermediates in synthesis of 10-propargyl-10-deazaaminopterin (Pralatrexate) and the intermediates thereof. The 10-propargyl-10-deazaaminopterin (Pralatrexate) is obtained by peptide formation and ester hydrolysis of the intermediate compound 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid by methods known in the art.