BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-

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Names

[ CAS No. ]:
66941-04-6

[ Name ]:
BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-

[Synonym ]:
1,3-Dimethyl-5-isopentylbarbituric acid
5-Isopentyl-1,3-dimethyl-barbitursaeure
BARBITURIC ACID,1,3-DIMETHYL-5-ISOPENTYL
5-isopentyl-1,3-dimethyl-barbituric acid
Barbituric acid,3-dimethyl-5-isopentyl

Chemical & Physical Properties

[ Density]:
1.1g/cm3

[ Boiling Point ]:
299.1ºC at 760 mmHg

[ Molecular Formula ]:
C11H18N2O3

[ Molecular Weight ]:
226.27200

[ Flash Point ]:
114.8ºC

[ Exact Mass ]:
226.13200

[ PSA ]:
57.69000

[ LogP ]:
0.96500

[ Index of Refraction ]:
1.481

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4097500
CHEMICAL NAME :
Barbituric acid, 1,3-dimethyl-5-isopentyl-
CAS REGISTRY NUMBER :
66941-04-6
BEILSTEIN REFERENCE NO. :
0212017
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-N2-O3
MOLECULAR WEIGHT :
226.31
WISWESSER LINE NOTATION :
T6VNVNV FHJ B1 D1 F2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 63,356,1941

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl (3-methylbutyl)malonate
  • 1,3-Dimethylurea
  • 1,3-dimethylbarbituric acid
  • 3-Methylbutanoic acid

DownStream

Related Compounds

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1,3-dimethyl-5-(3-methylbutyl)-
  • 5-Allyl-1,3-dimethyl-5-(1-methylbutyl)barbituric acid
  • 1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid
  • 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  • 1,3-dimethyl-5-(2-morpholino-5-nitrobenzylidene)hexahydropyrimidine-2,4,6-trione
  • 1-(4-bromophenyl)-5-(4-methoxybenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • 1-(4-bromophenyl)-5-(3,5-difluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • 1-(4-bromophenyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • 1-(4-bromophenyl)-5-(2,4-difluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • 6-(1H-Pyrazol-4-yl)-4-pyrimidinecarboxylic acid
  • N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(5-methoxy-1H-indol-1-yl)acetamide
  • 2-(3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl)-N-(pyridin-2-ylmethyl)acetamide
  • 2-[(2-methylbenzyl)sulfanyl]-3-pentylthieno[3,2-d]pyrimidin-4(3H)-one
  • 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-pentyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
  • 2-[(3-chlorobenzyl)sulfanyl]-3-pentylthieno[3,2-d]pyrimidin-4(3H)-one