78491-57-3

Basic information

• Product Name: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione
• Synonyms: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione
• CAS NO: 78491-57-3
• Molecular Weight: 298.301
• Mol File: 78491-57-3.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione(78491-57-3)
• EPA Substance Registry System: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione(78491-57-3)

Safety Data

• Hazardous Substances Data: 78491-57-3(Hazardous Substances Data)

Upstream product

• 532-27-4 1-chloroacetophenone 
• 70-11-1 α-bromoacetophenone 
• 62374-32-7 1,3-dimethyl-7-(trimethylsilyl)xanthine 
• 58-55-9 theophylline 
• 57533-87-6 1,3-Dimethylxanthine potassium salt 
• 110-86-1 pyridine 
• 84346-92-9 1,3,9-trimethyl-7-phenacylxanthinium p-toluenesulfonate 
• 40421-16-7 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl chloride 
• 71-43-2 benzene 
• 19977-29-8 8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione 

Downstream Products

• 132373-44-5 [1,3-Dimethyl-2,6-dioxo-7-(2-oxo-2-phenyl-ethyl)-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid 
• 84346-92-9 1,3,9-trimethyl-7-phenacylxanthinium p-toluenesulfonate 
• 19264-77-8 7-[(2-hydroxy-2-phenyl)ethyl]theophylline 
• 309942-99-2 7-[(2-methanesulfonyloxy-2-phenyl)ethyl]theophylline 
• 106549-49-9 N-(1,3-Dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-N-(2-oxo-2-phenyl-ethyl)-formamide 
• 84346-86-1 5-Benzoyl-1-(1,3-dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-1H-pyrrole-3-carboxylic acid methyl ester 
• 84346-85-0 2-Benzoyl-1-(1,3-dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester 
• 132373-50-3 1,3-Dimethyl-6-phenyl-1H,5H-8-thia-1,3,4b,9-tetraaza-fluorene-2,4-dione 
• 113090-93-0 1,3-dimethyl-7-(β-phenylhydrazono-phenethyl)-3,7-dihydro-purine-2,6-dione 

Relevant articles and documents

Silica sulfuric acid (SSA) as a highly efficient heterogeneous catalyst for persilylation of purine and pyrimidine nucleobases and other N-heterocycles using HMDS

Purine and pyrimidine nucleobases and other N-heterocycles have been silylated with HMDS in excellent yields in the presence of a catalytic amount of silica sulfuric acid (SSA) as a heterogeneous catalyst. SSA utilizes a shorter reaction time and higher yields of silylated nucleobases. SSA is reusable for several times without a decrease in reactivity or yield of silylated adducts. Copyright

Reaction of 7-(2-mesyloxy-2-phenylethyl)theophylline with amines: Synthesis of 1,2,3,6-tetrahydro-6-imino-2-oxo-7H-purine derivatives

Theophylline was converted to 7-(2-phenyl-2-methanesulfonyloxy)ethyl congener and the product was treated with ammonia or primary amines in a mixture solution of water and organic solvents. Two products were proven to be the styrene analogue and 7-(2-amino-2-phenylethyl)theophylline. The structure of the third product was elucidated as the 1,2,3,6-tetrahydro-6-imino-2-oxo-7H-purine derivatives by spectroscopic analysis including HMBC correlation and X-ray crystallography. (C) 2000 Elsevier Science Ltd.

Generation and Properties of N7-Xanthinium Ylides: Reactions of N7-Xanthinium Ylides with Diphenylcyclopropenone and Acetylenic Compounds

Xanthinium N7-ylides were generated in situ from 7-substituted 9-methylxanthinium tosylates (2) using n-BuLi in tetrahydrofuran or Et3N in MeCN.The xanthinium N7-ylides (3) generated using Et3N in MeCN reacted with diphenylcyclopropenone to give pyrone derivatives and isocaffeine in good yields.The reactions of 3a-b with dimethyl acetylenedicarboxylate or methyl propiolate (MP) afforded 5-pyrrol-1-yluracils in moderate yields.N7-Methoxycarbonylmethylide (3c) reacted with MP to give a pyrrolopteridine derivative together with a 5-pyrrol-1-yluracil derivative.Furthermore, the dihydropyrrolopurine derivative (7) , a primary 1,3-dipolar cycloaddition product, was detected by nuclear magnetic resonance measurement of the products.Keywords - xantinium N7-ylide; cycloaddition; dimethyl acetylenedicarboxylate; methyl propiolate; diphenylcyclopropenone; 5-pyrrol-1-yluracil; pyrrolopteridine; isocaffeine