7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

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Names

[ CAS No. ]:
137046-51-6

[ Name ]:
7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(4-(2-nitro-1H-imidazol-1-yl)butyl)
7-(4-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
NITP
7-(4'-(2-Nitroimidazole-1-yl)butyl)theophylline
7-<4-(2-nitroimidazol-1-yl)butyl>theophylline

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
665.2ºC at 760 mmHg

[ Molecular Formula ]:
C14H17N7O4

[ Molecular Weight ]:
347.32900

[ Flash Point ]:
356.1ºC

[ Exact Mass ]:
347.13400

[ PSA ]:
125.46000

[ LogP ]:
0.54200

[ Vapour Pressure ]:
1.46E-17mmHg at 25°C

[ Index of Refraction ]:
1.721

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Nitroimidazole
  • 7-(4-chlorobutyl)-1,3-dimethylpurine-2,6-dione
  • 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)

DownStream

Related Compounds

  • 7-[2-{5-(pentan-1-yl)-1,2,4-oxadiazol-3-yl}-ethan-1-yl]-theophylline
  • 7,4'-Dihydroxy-3'-prenylflavan
  • 7-(4'-tert-Butyl-phenyl)-2-(1-adamantylmethyl)-indan-1-one
  • 7-(4'-tert-Butyl-phenyl)-2-(1-adamantylmethyl)-1H-indene
  • 7-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
  • 7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide
  • 5-(6-Methylpyridin-2-yl)-1,3-oxazolidin-2-one
  • (2R)-2-(3,4-difluoro-2-methoxyphenyl)oxirane
  • Tert-butyl 2-(1-amino-3-hydroxypropyl)pyrrolidine-1-carboxylate
  • [1-(1,3-dimethyl-1H-pyrazol-5-yl)-3,3-difluorocyclobutyl]methanamine
  • tert-butyl N-{4-[(2R)-2-aminopropyl]phenyl}carbamate
  • [1-(2,5-Dimethylphenyl)-4,4-difluorocyclohexyl]methanamine
  • tert-butyl N-[2-(2-hydroxypropyl)-4,5-dimethoxyphenyl]carbamate
  • 4-(2,2-Dimethylthiolan-3-yl)-2-methylbutanoic acid
  • {1-[(3-Cyclopropylphenyl)methyl]cyclopropyl}methanol
  • 4-[1-(Hydroxymethyl)cyclobutyl]-2,6-dimethoxyphenol