1807-85-8

Basic information

• Product Name: 7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-; 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• CAS NO: 1807-85-8
• Molecular Formula: C₁₄H₁₄N₄O₂
• Molecular Weight: 270.2866
• Mol File: 1807-85-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 489.6°C at 760 mmHg
• Flash Point: 249.9°C
• Density: 1.33g/cm³
• Vapor Pressure: 9.87E-10mmHg at 25°C
• Refractive Index: 1.67
• CAS DataBase Reference: 7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione(1807-85-8)
• EPA Substance Registry System: 7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione(1807-85-8)

Safety Data

• Hazardous Substances Data: 1807-85-8(Hazardous Substances Data)

Upstream product

• 139952-81-1 1-benzyl-4-<(ethoxycarbonyl)methylamino>-1H-imidazole-5-carboxamide 
• 115377-56-5 1-benzyl-4-(N-methylamino)-1H-imidazole-5-carboxamide 
• 58-55-9 theophylline 
• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 
• 86180-41-8 3,9-dimethyl-7-benzylxanthinium betaine 
• 56025-86-6 7-benzyl-3-methylxanthine 
• 74-88-4 methyl iodide 
• 110-91-8 morpholine 
• 69247-51-4 7-Trimethylsilyltheophyllin 
• 6642-31-5 6-Amino-1,3-dimethylbarbituric acid 
• 122-51-0 orthoformic acid triethyl ester 
• 58481-36-0 6-amino-5-(benzylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 
• 7150-04-1 6-amino-5-bromo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 

Downstream Products

• 359684-73-4 7-benzyl-1,3-dimethyl-8-(phenylthio)xanthine 
• 70404-23-8 7-benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 
• 7273-36-1 7-benzyl-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione 

Relevant articles and documents

Synthesis of theophylline-based iridium(I) N-heterocyclic carbene complexes including fluorinated-thiophenolate ligands. Preliminary evaluation of their in vitro anticancer activity

A series of theophylline-based Ir(I) N-heterocyclic carbene complexes including fluorinated-thiolate ligands have been prepared and fully characterized. The molecular structures of the complexes [(NHC)Ir(SC6F5)(COD)] (3a) and [(NHC)I

Chitosan–silica sulfate nanohybrid: a highly efficient and green heterogeneous nanocatalyst for the regioselective synthesis of N-alkyl purine, pyrimidine and related N-heterocycles via presilylated method

Abstract: The presilylation of purine and pyrimidine nucleobases as well as other related N-heterocycles with HMDS utilizing chitosan–silica sulfate nanohybrid (CSSNH) is described. CSSNH is proved to be a useful, highly efficient and eco-friendly heterogeneous nanohybrid catalyst for silylation of nucleobases. The presilylated nucleobases then underwent the reaction with different sources of carbon electrophiles to afford the desired N-alkyl-substituted derivatives in good-to-excellent yields. CSSNH exhibits several advantageous involving ease of handling and preparation, low cost, reusability and environmental benignity. These unique properties render the CSSNH to be an ideal candidate for use in green industrial processes. Graphic abstract: [Figure not available: see fulltext.].

Fragment Discovery for the Design of Nitrogen Heterocycles as Mycobacterium tuberculosis Dihydrofolate Reductase Inhibitors

Fragment-based drug design was used to identify Mycobacterium tuberculosis (Mtb) dihydrofolate reductase (DHFR) inhibitors. Screening of ligands against the Mtb DHFR enzyme resulted in the identification of multiple fragment hits with IC50 values in the range of 38–90 μM versus Mtb DHFR and minimum inhibitory concentration (MIC) values in the range of 31.5–125 μg/mL. These fragment scaffolds would be useful for anti-tubercular drug design.