1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-

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Names

[ CAS No. ]:
4921-49-7

[ Name ]:
1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-

[Synonym ]:
8-Chlor-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,8-dione
EINECS 225-552-1
8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-Chloro Caffeine
8-chloro-1,3,7-trimethylxanthine
CAFFEINE,8-CHLORO
1,3,7-Trimethyl-2,6-dioxo-8-chloro.1H,3H,7H-xanthine
8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.6g/cm3

[ Boiling Point ]:
425.4ºC at 760mmHg

[ Melting Point ]:
190-192ºC

[ Molecular Formula ]:
C8H9ClN4O2

[ Molecular Weight ]:
228.63600

[ Flash Point ]:
211.1ºC

[ Exact Mass ]:
228.04100

[ PSA ]:
61.82000

[ Index of Refraction ]:
1.696

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6494000
CHEMICAL NAME :
Caffeine, 8-chloro-
CAS REGISTRY NUMBER :
4921-49-7
BEILSTEIN REFERENCE NO. :
0232628
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H9-Cl-N4-O2
MOLECULAR WEIGHT :
228.66
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 CG F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
4 mmol/L
REFERENCE :
HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 75,277,1973

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Caffeine
  • 8-Chlorotheophyline
  • methyl iodide
  • MERCURIC-8,8-DICAFFEINE
  • 1,3,7-trimethyl-8-nitro-purine-2,6-dione
  • Tetramethyluric acid
  • 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)
  • Diethyl ether
  • Phosphorus pentachloride

DownStream

  • 1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-
  • 1H-Purine-2,6 (3H,7H)-dione, 1,3,7-trimethyl-8-propoxy-
  • 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-[(phenylmethyl)thio]-
  • 1-Methylxanthine
  • 1,3,7-Trimethyluric acid
  • 1,3,7-trimethyl-8-propyl-purine-2,6-dione
  • 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(3-methylbutoxy)-
  • 8-Mercaptocaffeine
  • 8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione
  • Caffeine

Related Compounds

  • N-methyl-6-(piperazin-1-yl)pyridazin-3-amine
  • N-ethyl-6-(piperazin-1-yl)pyridazin-3-amine
  • 2,7-Dimethylimidazo[1,2-a]pyrimidine-3-carbaldehyde
  • N-{[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(propan-2-yl)-1H-pyrazol-5-amine
  • 4,6-Dimethyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-amine
  • 4,6-dimethyl-2-(1H-pyrazol-1-yl)pyrimidin-5-amine
  • 4,6-dimethyl-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidin-5-amine
  • 2-(1H-imidazol-1-yl)-4,6-dimethylpyrimidin-5-amine
  • 1-(3-((5-Bromopyrimidin-2-yl)oxy)piperidin-1-yl)-2-(4-isopropylphenoxy)ethanone
  • 1-(3-((5-Bromopyrimidin-2-yl)oxy)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
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