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

Modify Date: 2025-08-27 09:27:50

1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione Structure
1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione structure
 Common Name 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
CAS Number 5770-30-9 Molecular Weight 236.27000
Density 1.249g/cm3 Boiling Point 460.6ºC at 760 mmHg
Molecular Formula C11H16N4O2 Melting Point N/A
MSDS N/A Flash Point 232.4ºC

 Names

Name 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
Synonym More Synonyms

 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

3-Methylbutanoic acid structure

3-Methylbutanoi...

CAS#:503-74-2

5,6-Diamino-1,3-Dimethyluracil structure

5,6-Diamino-1,3...

CAS#:5440-00-6

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

1,3-dimethyl-8-...

CAS#:5770-30-9

Literature: Speer; Raymond Journal of the American Chemical Society, 1953 , vol. 75, p. 114

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

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
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Chemsrc provides CAS#:5770-30-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione>> amp version: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione

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