1,3,7,8-Tetramethylxanthine

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Names

[ CAS No. ]:
832-66-6

[ Name ]:
1,3,7,8-Tetramethylxanthine

[Synonym ]:
1,3,7,8-Tetramethyl-3,7-dihydro-1H-purine-2,6-dione
1,3,7,8-tetramethylpurine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
410.7±37.0 °C at 760 mmHg

[ Molecular Formula ]:
C9H12N4O2

[ Molecular Weight ]:
208.217

[ Flash Point ]:
202.2±26.5 °C

[ Exact Mass ]:
208.096024

[ PSA ]:
61.82000

[ LogP ]:
-0.94

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.659

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD9220000
CHEMICAL NAME :
Xanthine, 1,3,7,8-tetramethyl-
CAS REGISTRY NUMBER :
832-66-6
BEILSTEIN REFERENCE NO. :
0220502
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O2
MOLECULAR WEIGHT :
208.25
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ C1 D1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09192

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • Caffeine
  • acetic acid
  • 1H-Purine-2,6-dione,3,9-dihydro-1,3,8,9-tetramethyl-
  • methyl iodide
  • Chloromethane
  • 1H-Purine-2,6-dione,3,9-dihydro-8-methyl-
  • Dimethyl sulfate
  • Di-tert-butyl peroxide
  • Methyl acetate

DownStream

  • methylamine
  • 1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione

Related Compounds

  • 1,3,7,8-Tetraazaspiro[4.5]deca-2,6,9-triene-10-carboxylicacid, 4-oxo-1-phenyl-2-(phenylamino)-, ethyl ester
  • 1,3,7,8,10-pentamethyl-10aH-benzo[g]pteridine-2,4-dione
  • 1,3,7,8-tetrachloro-2-nitrodibenzo-p-dioxin
  • (2S)-1-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)propan-2-amine
  • 2-hydroxy-1,3,7,8-tetrachlorodibenzo-4-dioxin
  • 5-amino-3-methyl-1,3,7,8-tetrazabicyclo[4.3.0]nona-5,8-diene-2,4-dione
  • N-(1H-indol-6-yl)-2-(1-oxophthalazin-2(1H)-yl)acetamide
  • N-[2-(1H-indol-1-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
  • N-cyclopropyl-3-(5-methyl-1H-tetrazol-1-yl)benzamide
  • Ethyl 2-({[2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidin-3-yl]carbonyl}amino)-1,3-thiazole-4-carboxylate
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-(5-methyl-1H-tetrazol-1-yl)benzamide
  • N-(3-chloro-4-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
  • 3-[6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
  • N-[2-(4-methoxy-1H-indol-1-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
  • 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
  • 2-[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-phenylacetamide
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