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

  • N-(2-chloro-4-methylphenyl)-2-(5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • 2-[5-(4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[4-(propan-2-yl)phenyl]acetamide
  • N-(3-chloro-4-methoxyphenyl)-2-(5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • N-(2-chlorophenyl)-2-(5-(4-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
  • N-(3-chlorophenyl)-2-(5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • N-(4-chlorophenyl)-2-(5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • N-(4-bromophenyl)-2-(5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
  • 2-(5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(3-methoxyphenyl)acetamide
  • N-(4-ethoxyphenyl)-2-(5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
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