2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile

Names

[ CAS No. ]:
39908-33-3

[ Name ]:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile

[Synonym ]:
7H-Purine-7-acetonitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo
(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
7-Cyanomethyltheophylline
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetonitril
(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetonitrile
1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-acetonitrile

Chemical & Physical Properties

[ Density]:
1.48g/cm3

[ Boiling Point ]:
504.4ºC at 760 mmHg

[ Molecular Formula ]:
C9H9N5O2

[ Molecular Weight ]:
219.20000

[ Flash Point ]:
258.8ºC

[ Exact Mass ]:
219.07600

[ PSA ]:
85.61000

[ Index of Refraction ]:
1.703

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Theophylline
  • Bromoacetonitrile
  • Iodoacetonitrile
  • 2-chloroacetonitrile

DownStream

  • Isocaffeine
  • N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide,hydrochloride

Related Compounds

  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-hydroxyethanimidamide,hydrochloride
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-dimethylsulfanium,iodide
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-diethyl-methylazanium
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N'-phenylcarbamimidothioate,hydroiodide
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
  • 7-Chloro-3-(propan-2-yl)-1H-indole
  • 2-(3-Fluoro-4-methylphenyl)cycloheptan-1-one
  • 3-Amino-1-(3-(hydroxymethyl)azetidin-1-yl)propan-1-one
  • 4-Bromo-2-ethyl-7-methyl-2,3-dihydro-1-benzofuran-3-one
  • 3-(3-Chlorothiophen-2-yl)azetidin-3-ol
  • 4-amino-1-pentyl-1H-pyrazole-3-carboxamide
  • 4-(2-Fluoro-3-nitrophenyl)butan-2-amine
  • 3-Methylbutyl 5-chloro-2-pyrazinecarboxylate
  • 2-(2-Chloro-4,5-difluorophenyl)-2-oxoacetic acid
  • 1-{2-[(1,3-benzoxazol-2-yl)amino]ethyl}-1H-imidazole-4-carboxylic acid
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