3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile

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Names

[ CAS No. ]:
1811-38-7

[ Name ]:
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile

[Synonym ]:
7H-Purine-7-propanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
7-(2-Cyano-ethyl)-theophyllin
7-Cyanoethyltheophylline
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitril
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitrile
7-Cyanaethyl-theophyllin
1,3-dimethyl-7H-xanthine-7-propanenitrile

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Boiling Point ]:
525.9ºC at 760 mmHg

[ Molecular Formula ]:
C10H11N5O2

[ Molecular Weight ]:
233.22700

[ Flash Point ]:
271.8ºC

[ Exact Mass ]:
233.09100

[ PSA ]:
85.61000

[ Vapour Pressure ]:
3.77E-11mmHg at 25°C

[ Index of Refraction ]:
1.679

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Theophylline
  • Acrylonitrile

DownStream

  • Isocaffeine
  • N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide,hydrochloride
  • 7-(3-imino-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione,hydrochloride

Related Compounds

  • 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl N,N-diethylcarbamodithioate
  • 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-hydroxypropanimidamide,hydrochloride
  • diniprofylline
  • N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-N-methylpyridine-3-carboxamide
  • N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-3,4,5-trimethoxybenzamide
  • N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-3,4,5-trimethoxy-N-methylbenzamide