63908-22-5

Basic information

• Product Name: 3-benzyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-(phenylmethyl)-
• CAS NO: 63908-22-5
• Molecular Formula: C₁₃H₁₂N₄O₂
• Molecular Weight: 256.26
• Mol File: 63908-22-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 263 °C
• Boiling Point: 539.9°C at 760 mmHg
• Flash Point: 280.3°C
• Density: 1.414g/cm³
• Vapor Pressure: 1.01E-11mmHg at 25°C
• Refractive Index: 1.668
• PKA: 8.21±0.70(Predicted)
• CAS DataBase Reference: 3-benzyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-benzyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione(63908-22-5)
• EPA Substance Registry System: 3-benzyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione(63908-22-5)

Safety Data

• Hazardous Substances Data: 63908-22-5(Hazardous Substances Data)

Upstream product

• 141357-41-7 1-methyl-3-benzyl-9-aminoxanthine 
• 100-44-7 benzyl chloride 
• 141357-45-1 1-methyl-3-benzyl-9-benzylideneaminoxanthine 
• 141357-42-8 potassium salt of 1-methyl-9-benzylideneaminoxanthine 
• 6957-05-7 N-methyl-N'-benzylurea 
• 53681-51-9 6-amino-1-benzyl-3-methyl uracil 
• 132588-35-3 6-amino-1-benzyl-3-methyl-5-nitroso uracil 

Downstream Products

• 155006-66-9 3-benzyl-7-<(2,2-dimethyl)propyl>-1-methyl xanthine 
• 155006-67-0 1-methyl-7-neopentylxanthine 

Relevant articles and documents

Efficient synthesis of 1,3,7-substituted xanthines by a safety-catch protection strategy

An efficient synthesis of selectively N-substituted xanthine derivatives is described. Cyclocondensation of a suitably protected aminoimidazole with methyl-2-phenylthioethyl carbamate, followed by oxidation of sulfur to the sulfone, provides access to an orthogonally 1,7-protected xanthine, which may then be regioselectively alkylated and deprotected under mild conditions.

Synthesis and analytical profile of the new potent antibronchospastic agent 7-[(2,2-dimethyl)propyl]-1-methyl xanthine

7-[(2,2-Dimethyl)propyl]-1-methyl xanthine (CAS 155006-67-0, MX2/120) is a new potent antibronchospastic agent with negligible side effects. The synthesis involves the alkylation of 3-benzyl-1-methyl xanthine with neopentyl bromide followed by removal of

Structure-activity relationships in a series of xanthine derivatives with antibronchoconstrictory and bronchodilatory activities

Thirty-one 1,3,7,8-substituted xanthine derivatives have been synthesized and evaluated for bronchodilator and anti-bronchoconstrictory activities in in vitro tracheal relaxation and in vivo bronchospasm inhibition models. Activity tests have been complemented with phosphodiesterase inhibition and toxicological data. Structure-activity relationships are discussed. Compound 21 (1,3-diisobutyl-8-methylxanthine) has been selected for further pharmacological development because of its good activity profile and favourable therapeutic index, which is 14- and 38-fold greater than that of theophylline and IBMX, respectively.