8-BROMO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-2,6-PURINEDIONE

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Names

[ CAS No. ]:
111038-24-5

[ Name ]:
8-BROMO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-2,6-PURINEDIONE

Chemical & Physical Properties

[ Density]:
1.91g/cm3

[ Boiling Point ]:
603.7ºC at 760mmHg

[ Molecular Formula ]:
C10H13BrN4O4

[ Molecular Weight ]:
333.13900

[ Flash Point ]:
318.9ºC

[ Exact Mass ]:
332.01200

[ PSA ]:
102.28000

[ Vapour Pressure ]:
2.01E-15mmHg at 25°C

[ Index of Refraction ]:
1.726

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8412550
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimet hyl-
CAS REGISTRY NUMBER :
111038-24-5
BEILSTEIN REFERENCE NO. :
0309839
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H13-Br-N4-O4
MOLECULAR WEIGHT :
333.18

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 :
1330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,338,1987

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 8-Bromotheophylline
  • Glycidol
  • 3-Chloro-1,2-propanediol

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1-methylpyridin-2(1H)-one
  • (4-((1H-imidazol-1-yl)methyl)phenyl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
  • Benzo[d]thiazol-6-yl(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
  • 2-(Benzo[d]isoxazol-3-yl)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
  • 1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)pent-4-en-1-one
  • (E)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
  • 4-ethyl-5-fluoro-6-{[1-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]oxy}pyrimidine
  • (3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
  • 3-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)quinazolin-4(3H)-one
  • 1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
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