Barbituric acid, 5-isopentyl-5-methyl-

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Names

[ CAS No. ]:
67051-30-3

[ Name ]:
Barbituric acid, 5-isopentyl-5-methyl-

[Synonym ]:
5-Isopentyl-5-methyl-barbitursaeure
BARBITURIC ACID,5-ISOPENTYL-5-METHYL
5-isopentyl-5-methyl-barbituric acid
5-methyl-5-(3-methylbutyl) barbituric acid
2,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-(3-methylbutyl)

Chemical & Physical Properties

[ Density]:
1.094g/cm3

[ Molecular Formula ]:
C10H16N2O3

[ Molecular Weight ]:
212.24600

[ Exact Mass ]:
212.11600

[ PSA ]:
75.27000

[ LogP ]:
1.45250

[ Index of Refraction ]:
1.462

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7075000
CHEMICAL NAME :
Barbituric acid, 5-isopentyl-5-methyl-
CAS REGISTRY NUMBER :
67051-30-3
BEILSTEIN REFERENCE NO. :
0201783
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H16-N2-O3
MOLECULAR WEIGHT :
212.28
WISWESSER LINE NOTATION :
T6VMVMV FHJ F2Y1&1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 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: 58,1358,1936

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl 2-isopentyl-2-methylmalonate
  • Urea

DownStream

  • 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Related Compounds

  • 5-Isopentyl-5-(2-methyl-2-propenyl)barbituric acid
  • 5-Isopentyl-5-(2-propynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(3-methylbutyl)-5-phenyl-1,3-diazinane-2,4,6-trione
  • 5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)-5-propyl-
  • sodium,5-but-3-en-2-yl-5-(3-methylbutyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • sodium 3,4-dihydro-2H-1-benzopyran-6-sulfinate
  • sodium 2-(2,3-dihydro-1H-inden-1-yl)ethane-1-sulfinate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 3-methoxy-N-[(4S)-1,2-oxazolidin-4-yl]propanamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde