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

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Names

[ 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
4-Phenoxypyridine-2-carboxylic acid hydrochloride
{[2-(Benzyloxy)-3-bromophenyl]methyl}(methyl)amine hydrochloride
2-(Pyrrolidin-3-yloxy)acetamide hydrochloride
Ethyl 2-amino-3-cyclopropylpropanoate hydrochloride
(4-Bromo-3-(p-tolyl)isoxazol-5-yl)boronic acid
(2-Chloro-6-iodopyridin-4-YL)methylamine
3,4,5-Trihydroxy-6-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]oxane-2-carboxylic acid
Benzamide, 2-((5-chloro-2-(((6S)-6,7,8,9-tetrahydro-6-(4-(2-hydroxyethyl)-1-piperazinyl)-1-methoxy-5H-benzocyclohepten-2-yl)amino)-4-pyrimidinyl)amino)-N-methyl-, hydrochloride, hydrate (1:3:2)
(2R,3R)-3-phenylmethoxycarbonyloxirane-2-carboxylate
Fmoc-1,3-cis-damch hcl

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