1616487-16-1

Basic information

• Product Name: 3-[2-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione
• CAS NO: 1616487-16-1
• Molecular Weight: 414.485
• Mol File: 1616487-16-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-[2-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[2-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione(1616487-16-1)
• EPA Substance Registry System: 3-[2-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione(1616487-16-1)

Safety Data

• Hazardous Substances Data: 1616487-16-1(Hazardous Substances Data)

Upstream product

• 1616487-12-7 ethyl 2-[6-methyl-2,4-dioxo-1-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidin-3-yl]acetate 
• 1443443-01-3 6-methyl-1-(thiethan-3-yl)pyrimidine-2,4(1H,3H)-dione 
• 1616487-13-8 2-[6-methyl-2,4-dioxo-1-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidin-3-yl]acetic acid hydrazide 
• 93-91-4 1-phenylbutan-1,3-dione 

Relevant articles and documents

Synthesis and structure of hydrazones obtained by the reaction of 2-[6-methyl-2,4-dioxo-1-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidin-3-yl]acetic acide hydrazide with β-dicarbonyl compounds

Reaction of 2-[6-methyl-2,4-dioxo-1-(thietan-3-yl)-1,2,3,4- tetrahydropyrimidin-3-yl]acetic acid hydrazide with β-dicarbonyl compounds proceeds regioselectively; the structure of the formed hydrazones is governed by the structure of the β-dicarbonyl reaction component. The reaction with acetyl- and propionylacetone afforded 3-[2-(5-alkyl-3-methyl-1H-pyrazol-1-yl)-2- oxoethyl]-6-methyl-1-(thietan-3-yl)pyrimidin-2,4(1H,3H)-diones, with aroylacetones, 5-hydroxypyrazoline derivatives which are present in DMSO solutions in E′ conformation with respect to the amide bond. The condensation products with acetoacetic acid derivatives have a linear structure and consist of mixtures of E,Z- and E′,Z′-isomers owing to the geometric and conformational isomerism.