8-benzyltheophylline

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Names

[ CAS No. ]:
2879-15-4

[ Name ]:
8-benzyltheophylline

[Synonym ]:
1,3-Dimethyl-8-benzyl-xanthin
MFCD00067027
8-benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Theophylline,8-benzyl
EINECS 220-725-8
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)
8-Benzyltheophylline
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-benzytheophylline
8-Benzyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion

Chemical & Physical Properties

[ Density]:
1.335 g/cm3

[ Boiling Point ]:
556.5ºC

[ Melting Point ]:
298-300ºC

[ Molecular Formula ]:
C14H14N4O2

[ Molecular Weight ]:
270.28700

[ Flash Point ]:
290.4ºC

[ Exact Mass ]:
270.11200

[ PSA ]:
72.68000

[ LogP ]:
0.55110

[ Vapour Pressure ]:
2.02E-12mmHg at 25°C

[ Index of Refraction ]:
1.635

[ Storage condition ]:
2-8℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH4791000
CHEMICAL NAME :
Theophylline, 8-benzyl-
CAS REGISTRY NUMBER :
2879-15-4
LAST UPDATED :
199409
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H14-N4-O2
MOLECULAR WEIGHT :
270.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
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 :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,36,1952

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylacetic acid
  • 5,6-Diamino-1,3-Dimethyluracil
  • 4,6-dimethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione 1-oxide
  • 2-Phenylethanamine
  • Theophylline
  • Benzyl bromide
  • Benzeneacetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-
  • Benzyl chloride
  • 6-amino-5-benzylamino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
  • Morpholine, 4-(2-phenyl-1-thioxoethyl)- (9CI)

DownStream

  • 1H-Purine-2,6-dione,3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(phenylmethyl)-
  • CAFFEINE, 8-BENZYL-

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

  • 8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
  • (8-iodoquinolin-7-yl) N,N-diethylcarbamate
  • 8-Chloro-4-hydroxy-3-quinolinecarbohydrazide
  • 8-benzyl-7-phenyl-2,3-dihydro-pyrido[3,4-d]pyridazine-1,4-dione
  • 8-Fluoro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
  • 8-Butyryl-3-(2-methyl-2-butenyl)-3,8-diazabicyclo(3.2.1)octane