103594-72-5

Basic information

• Product Name: 2(1H)-Pyrimidinone, 5-bromo-3,4-dihydro-4-phenyl-1-(phenylmethyl)-
• CAS NO: 103594-72-5
• Molecular Formula: C17H15BrN2O
• Molecular Weight: 343.223
• Mol File: 103594-72-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2(1H)-Pyrimidinone, 5-bromo-3,4-dihydro-4-phenyl-1-(phenylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(1H)-Pyrimidinone, 5-bromo-3,4-dihydro-4-phenyl-1-(phenylmethyl)-(103594-72-5)
• EPA Substance Registry System: 2(1H)-Pyrimidinone, 5-bromo-3,4-dihydro-4-phenyl-1-(phenylmethyl)-(103594-72-5)

Safety Data

• Hazardous Substances Data: 103594-72-5(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 103594-68-9 1-benzyl-5-bromopyrimidin-2(1H)-one 
• 16635-23-7 phenyltriisopropoxytitanium(IV) 
• 591-51-5 phenyllithium 
• 23402-69-9 lithium diphenylcuprate 

Downstream Products

• 103594-80-5 1-benzyl-5-bromo-4-phenylpyrimidin-2(1H)-one 

Relevant articles and documents

Aryl- and Alkynyltri-isopropoxytitanium Reagents in Regioselective Carbon-Carbon Bond Formation in Azines

Regioselective arylation in the 4-position in pyridines results from 1:1-adduct formation between an aryltriisopropoxytitanium reagent and N-isobutyloxycarbonyl- or an N-silyloxymethyl-3-cyanopyridinium salt after successive DDQ dehydrogenation and cleavage of the 1-substituent.Complete regioselectivity for new C-C bond formation in the 4-position results in the adduct formation between aryl- and phenylethynyltri-isopropoxytitanium reagents and pyrimidin-2(1H)-ones; with ethynyltriisopropoxytitanium the new C-C bond formation occurs at the 6-position.

Regioselectivity in the Reactions of Aryltri-isopropoxytitanium with Pyrimidinones.

Complete regioselectivity is observed in the 1:1-adduct formation between aryltri-isopropoxytitanium reagents and pyrimidin-2(1H)ones: the new carbon-carbon-bond is formed at C-4.Dehydrogenation gives the arylated, fully conjugated heterocycle.