25696-85-9

Basic information

• Product Name: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
• Synonyms: Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-; Pyrimido[5,4-e]-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-
• CAS NO: 25696-85-9
• Molecular Formula: C₁₃H₁₁N₅O₂
• Molecular Weight: 269.2587
• Mol File: 25696-85-9.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 508.1°C at 760 mmHg
• Flash Point: 261.1°C
• Density: 1.371g/cm³
• Vapor Pressure: 1.91E-10mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione(25696-85-9)
• EPA Substance Registry System: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione(25696-85-9)

Safety Data

• Hazardous Substances Data: 25696-85-9(Hazardous Substances Data)

Upstream product

• 61541-41-1 6-azido-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 
• 18039-42-4 5-phenyl-2H-1,2,3,4-tetrazole 
• 62758-20-7 6,8-dimethyl-3,5,7-trioxo-2,3,5,6,7,8-hexahydropyrimido[5,4-e][1,2,4]-triazine-4-oxide 
• 100-52-7 benzaldehyde 
• 1128-14-9 5-amino-6-chloro-1,3-dimethyluracil 
• 2216-94-6 phenylpropynoic acid ethyl ester 
• 41661-91-0 6,8-dimethyl-4-oxy-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 
• 42285-76-7 6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione 
• 74-88-4 methyl iodide 
• 32502-63-9 3-phenyltoxoflavin 
• 52421-32-6 6-(benzylidene-1'-methylhydrazino)-1,3-dimethyluracil 
• 25774-97-4 6-benzylidenehydrazino-1,3-dimethyluracil 
• 164520-14-3 1-Cyclopentyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 
• 164520-07-4 1-Butyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 

Downstream Products

• 118214-94-1 2,4a,5,6,7,8-hexahydro-3-phenyl-4a-(3-indolyl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-5,7-dione 

Relevant articles and documents

General syntheses of 1-alkyltoxoflavin and 8-alkylfervenulin derivatives of biological significance by the regioselective alkylation of reumycin derivatives and the rates of transalkylation from 1-alkyltoxoflavins into nucleophiles

Regioselective alkylations of reumycin derivatives under alkaline conditions with a dialkyl sulfate or alkyl halide in 1,4-dioxane or DMF to provide 1-alkyltoxoflavin or 8-alkylfervenulin derivatives of biological significance, are described. Namely, the primary and secondary alkylations of reumycin derivatives with appropriate dialkyl sulfates or alkyl bromides under alkaline conditions in 1,4-dioxane gave predominantly 1-alkyltoxoflavin derivatives, while the same alkylations in DMF instead of 1,4-dioxane gave predominantly 8-alkylfervenulin derivatives. In the case of tertiary alkylation, the reumycin derivative with 2-bromo-2-methylpropane in both solvents under the same conditions yielded only the 1-alkyltoxoflavin derivative. Moreover, the rates of transalkylation from 1-alkyltoxoflavin derivatives into nucleophiles, e.g. DMF and n-butylamine, are also described. That is, the toxoflavin derivatives possessing a primary alkyl group at the 1-position were easily dealkylated from the 1-position by heating with DMF, whereupon reumycin (i.e., 1-dealkyltoxoflavin, 8-dealkylfervenulin) derivatives were formed. In other words, transalkylation from the toxoflavin derivatives into DMF took place, However, the transalkylation of 1-alkyltoxoflavin derivatives possessing a secondary or tertiary alkyl group at the 1-position was not observed under such conditions. On the other hand, when heating 1-alkyltoxoflavin derivatives with n-butylamine in 1,4-dioxane, the transalkylations were more easily observed even in the case of 1-alkyltoxoflavin derivatives substituted by a tertiary alkyl group.

REACTIONS OF FERVENULIN AND ITS 3-SUBSTITUTED ANALOGS WITH INDOLE

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N-Bromosuccinimide in Heterocyclic Synthesis. Synthesis of Pyrazolopyrimidines, Pyrimido-as-triazines, and Pyrimidopyridazines from 6-Arylidenehydrazino-1,3-dimethyluracil Derivatives

Reactions of 6-arylidenehydrazino-1,3-dimethyluracil derivatives with N-bromosuccinimide leading to pyrazolopyrimidines, pyrimido-as-triazines, and pyrimidopyridazines are described.