1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-

Suppliers

Names

[ CAS No. ]:
57000-13-2

[ Name ]:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-

[Synonym ]:
8-<(phenylmethyl)amino>theophylline
8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-Benzylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
8-benzylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
8-(Benzylamino)theophylline
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)
Theophylline,8-benzylamino
8-benzylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.404g/cm3

[ Boiling Point ]:
539.3ºC at 760mmHg

[ Molecular Formula ]:
C14H15N5O2

[ Molecular Weight ]:
285.30100

[ Flash Point ]:
280ºC

[ Exact Mass ]:
285.12300

[ PSA ]:
84.71000

[ LogP ]:
0.64540

[ Index of Refraction ]:
1.685

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8427950
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-
CAS REGISTRY NUMBER :
57000-13-2
BEILSTEIN REFERENCE NO. :
0309350
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H15-N5-O2
MOLECULAR WEIGHT :
285.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 33,203,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1340 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 27,305,1975

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzylamine

DownStream

  • Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,6-hydroxy-1,3-dimethyl-7-nitroso-9-(phenylmethyl)-
  • 9-benzyl-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione
  • 9-benzyl-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione

Related Compounds

  • Methyl 3-(3-hydroxy-5,5-dimethyloxolan-3-yl)azetidine-3-carboxylate
  • Methyl 4,4-difluoro-1-(3-hydroxyoxetan-3-yl)cyclohexane-1-carboxylate
  • Methyl 3-(1-hydroxycyclopentyl)oxolane-3-carboxylate
  • Methyl 3-(4-hydroxy-1-methylpiperidin-4-yl)oxolane-3-carboxylate
  • benzyl N-(1-cyclopentylbut-3-yn-2-yl)carbamate
  • benzyl N-{[4-(2-hydroxyethoxy)phenyl]methyl}-N-methylcarbamate
  • tert-butyl N-(2,4-dihydroxycyclobutyl)carbamate
  • Methyl 3-(1-hydroxy-3-methylcyclohexyl)oxolane-3-carboxylate
  • Methyl 3-(2-hydroxypropan-2-yl)oxolane-3-carboxylate
  • Methyl 3-(4-hydroxythian-4-yl)oxolane-3-carboxylate
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.