1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione

Suppliers

Names

[ CAS No. ]:
5770-30-9

[ Name ]:
1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione

[Synonym ]:
8-Isobutyl theophylline
8-Isobutyltheophyllin
8-Isobutyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
Xanthine,1,3-dimethyl-8-isobutyl
8-isobutyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
8-isobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Theophylline,8-isobutyl

Chemical & Physical Properties

[ Density]:
1.249g/cm3

[ Boiling Point ]:
460.6ºC at 760 mmHg

[ Molecular Formula ]:
C11H16N4O2

[ Molecular Weight ]:
236.27000

[ Flash Point ]:
232.4ºC

[ Exact Mass ]:
236.12700

[ PSA ]:
72.68000

[ LogP ]:
0.15880

[ Index of Refraction ]:
1.568

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5910000
CHEMICAL NAME :
Theophylline, 8-isobutyl-
CAS REGISTRY NUMBER :
5770-30-9
BEILSTEIN REFERENCE NO. :
0235781
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O2
MOLECULAR WEIGHT :
236.31
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C1Y1&1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Methylbutanoic acid
  • 5,6-Diamino-1,3-Dimethyluracil

DownStream

Related Compounds

  • 2,6-Diethoxynicotinic Acid
  • 1-(2-Methylpropoxy)-4-(1,1,3,3-tetramethylbutyl)benzene
  • Phenylmethyl (2S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3,4-dihydro-5-nitro-2-phenyl-1(2H)-pyridinecarboxylate
  • (2S)-2-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-5-nitro-2-phenylpiperidine
  • 5-(Benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid
  • 6-Methyl-2,3-dihydro-1lambda6-benzothiophene-1,1,3-trione
  • N-(cyanomethyl)-1-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxamide
  • N-(1-cyano-1,2-dimethylpropyl)-2-{[(3-cyanophenyl)methyl](prop-2-en-1-yl)amino}acetamide
  • N-(1-cyano-1,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetamide
  • 4-chloro-N-(1-cyano-3-methylbutyl)benzamide
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.