2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-phenyl-

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Names

[ CAS No. ]:
76-94-8

[ Name ]:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-phenyl-

[Synonym ]:
Methylphenylbarbital
Rutonal
5-Methyl-5-phenylbarbityric acid
Phenylmethylbarbituric acid
Eudan
5-Phenyl-5-methylbarbituric acid
5-methyl-5-phenylbarbituric acid
Heptobarbital
Mephebarbital
5-methyl-5-phenyl-pyrimidine-2,4,6-trione
5-Methyl-5-phenyl-barbitursaeure

Chemical & Physical Properties

[ Density]:
1.278g/cm3

[ Molecular Formula ]:
C11H10N2O3

[ Molecular Weight ]:
218.20900

[ Exact Mass ]:
218.06900

[ PSA ]:
75.27000

[ LogP ]:
0.96790

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7245000
CHEMICAL NAME :
Barbituric acid, 5-methyl-5-phenyl-
CAS REGISTRY NUMBER :
76-94-8
BEILSTEIN REFERENCE NO. :
0201825
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H10-N2-O3
MOLECULAR WEIGHT :
218.23
WISWESSER LINE NOTATION :
T6VMVMV FHJ F1 FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
34 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - coma Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
AMLSAP Acta Medicinae Legalis et Socialis. (International Academy of Legal Medicine and Social Medicine, Liege, Belgium) V.1- 1948- Volume(issue)/page/year: 10,435,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPGAR Journal de Physiologie et de Pathologie Generale. (Paris, France) V.1-38, 1899-1945. For publisher information, see JOPHAN. Volume(issue)/page/year: 30,364,1932

Safety Information

[ RIDADR ]:
UN 3249

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methyl 2-phenylacetate
  • DIMETHYL 2-BENZYLMALONATE
  • Urea
  • Diethyl methyl(phenyl)malonate

DownStream

Related Compounds

  • methyl 5-[1-(aminomethyl)cyclopropyl]-1-methyl-1H-pyrrole-2-carboxylate
  • 2-Amino-3-(2-cyclopropyl-1,3-thiazol-4-yl)-2-methylpropan-1-ol
  • 2-hydroxy-2-[1-(1H-indazol-7-yl)cyclopropyl]acetic acid
  • 1-[1-methyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]cyclopropan-1-ol
  • methyl 1-methyl-5-(2-methylbut-3-yn-2-yl)-1H-pyrrole-2-carboxylate
  • 2-[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]-2-methylpropan-1-ol
  • N-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methyl]hydroxylamine
  • methyl 3-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)propanoate
  • O-{[1-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methyl}hydroxylamine
  • O-{[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]methyl}hydroxylamine
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