5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

Names

[ CAS No. ]:
50-11-3

[ Name ]:
5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

[Synonym ]:
5,5-Diaethyl-1-methyl-2,4,6-trioxo-hexahydropyrimidin
Metabarbital
Gemonil
Endiemal
5,5-diethyl-N-methyl-barbituric acid
metharbital
N-Methylbarbital
5,5-Diethyl-1-methylbarbitursaeure
Methabarbital
Methylbarbital
1-methyl-5,5-diethylbarbituric acid
Metharbitone
Metharbutal
Endiemalum

Chemical & Physical Properties

[ Density]:
1.122g/cm3

[ Boiling Point ]:
302ºC at 760mmHg

[ Molecular Formula ]:
C9H14N2O3

[ Molecular Weight ]:
198.21900

[ Flash Point ]:
136.4ºC

[ Exact Mass ]:
198.10000

[ PSA ]:
66.48000

[ LogP ]:
0.76770

[ Index of Refraction ]:
1.467

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3675000
CHEMICAL NAME :
Barbituric acid, 5,5-diethyl-1-methyl-
CAS REGISTRY NUMBER :
50-11-3
BEILSTEIN REFERENCE NO. :
0184688
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H14-N2-O3
MOLECULAR WEIGHT :
198.25
WISWESSER LINE NOTATION :
T6VMVNV FHJ D1 F2 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973 Volume(issue)/page/year: -,-,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973 Volume(issue)/page/year: -,159,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7131 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 339 (estimated) No. of Female Employees: 170 (estimated)

Safety Information

[ RIDADR ]:
UN 3249

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2933540000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl diethylmalonate
  • 1-Methylurea
  • 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
  • acide diethyl-5,5 methyl-1 imino-4 barbiturique
  • Butanoic acid,2-cyano-2-ethyl-, ethyl ester
  • barbital
  • methyl iodide
  • Hydrochloric acid
  • 5,5-diethyl-2-amino-1-methyl-1H-pyrimidine-4,6-dione

DownStream

  • N-(2-ethylbutanoyl)-N-methylurea
  • 5,5-diethyl-3-methylimidazolidine-2,4-dione
  • Butanamide, 2-ethyl-
  • 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  • 2-Amino-N',N'-dimethylisobutyramid

Customs

[ HS Code ]: 2933540000

[ Summary ]:
2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

Related Compounds

  • 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1-(methoxymethyl)-3-methyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
  • 5,5-dichloro-1-methyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1,3-bis(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(6-methoxypyridin-2-yl)propanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-fluoro-2-methylbenzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4,5-dimethylpyridine-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(propan-2-yl)-1H-imidazole-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,6-dimethylpyridine-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2H,3H-pyrazolo[3,2-b][1,3]oxazole-6-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-fluoro-5-methylpyridine-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4,4,4-trifluoro-2,2-dimethylbutanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(propan-2-yl)-1H-imidazole-5-carboxylate
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