412019-21-7

Basic information

• Product Name: Benzenebutanoic acid, a-acetyl-b-oxo-, ethyl ester
• CAS NO: 412019-21-7
• Molecular Formula: C14H16O4
• Molecular Weight: 248.279
• Mol File: 412019-21-7.mol

Chemical Properties

• CAS DataBase Reference: Benzenebutanoic acid, a-acetyl-b-oxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, a-acetyl-b-oxo-, ethyl ester(412019-21-7)
• EPA Substance Registry System: Benzenebutanoic acid, a-acetyl-b-oxo-, ethyl ester(412019-21-7)

Safety Data

• Hazardous Substances Data: 412019-21-7(Hazardous Substances Data)

Upstream product

• 141-97-9 ethyl acetoacetate 
• 103-80-0 phenylacetyl chloride 
• 1007476-32-5 sodium ethyl acetylacetate enolate 

Downstream Products

• 718-08-1 ethyl 3-oxo-4-phenylbutyrate 
• 103-81-1 Benzeneacetamide 
• 2867-62-1 ethyl 2-methyl-3-oxo-4-phenylbutanoate 
• 6336-50-1 6-benzyl-2-thiouracil 
• 101729-50-4 3-anilino-4-phenyl-crotonic acid ethyl ester 
• 856118-83-7 ethyl 2-benzyl-4-phenyl-1H-pyrrole-3-carboxylate 
• 856058-23-6 5-benzyl-4-bromo-1-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one 
• 855161-63-6 4-benzyl-5,7-dihydroxy-coumarin 
• 856058-21-4 5-benzyl-1-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one 
• 858449-13-5 2-benzyl-4-phenyl-pyrrole-3-carboxylic acid 
• 20280-94-8 4-benzyl-7-hydroxycoumarin 
• 75523-28-3 5-benzyl-1,2-dihydropyrazol-3-one 
• 861067-78-9 2-phenethyl-4-phenyl-acetoacetic acid ethyl ester 

Relevant articles and documents

SmCl3-catalyzed C-acylation of 1,3-dicarbonyl compounds and malononitrile

(Chemical Equation Presented) A recyclable, convenient, and efficient catalytic system for C-acylation of 1,3-dicarbonyl compounds and malononitrile with acid chlorides has been developed, giving moderate to excellent yields under mild conditions. This is the first catalytic example of such reactions. In addition, by applying this protocol as the key step, 3,5-disubstituted-1H- pyrazole-4-carboxylate can easily be synthesized in high yields in a one-pot procedure.

Synthesis and cyclization reaction of pyrazolin-5-one derivatives

A versatile synthetic method for preparing 3-pyrazolin-5-ones and 5,8-dihydro-1H-pyrazolo[1,2-a]pyridazines from simple β-keto esters is demonstrated. The synthetic strategies involve the acylation of β-keto esters, cyclocondensation with hydrazine followed by trapping with a diene under oxidative conditions.