66843-01-4

Basic information

• Product Name: 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
• Synonyms: 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Methyl-5-(3-methyl-2-butenyl)barbituric acid
• CAS NO: 66843-01-4
• Molecular Formula: C10H14N2O3
• Molecular Weight: 210.2298
• Mol File: 66843-01-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 349.75°C (rough estimate)
• Flash Point: °C
• Appearance: /
• Density: 1.2056 (rough estimate)
• Refractive Index: 1.5000 (estimate)
• Water Solubility: 526.2mg/L(25 oC)
• CAS DataBase Reference: 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione(66843-01-4)
• EPA Substance Registry System: 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione(66843-01-4)

Safety Data

• Hazardous Substances Data: 66843-01-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14N2O3/c1-6(2)4-5-10(3)7(13)11-9(15)12-8(10)14/h4H,5H2,1-3H3,(H2,11,12,13,14,15)

Upstream product

• 67051-30-3 5-methyl-5-(3-methylbutyl) barbituric acid 
• 121823-85-6 diethyl 2-isopentyl-2-methylmalonate 
• 121823-86-7 acide methyl-5(hydroxy-3 methyl-3 butyl)-5 barbiturique 
• 17063-07-9 diethyl 2-methyl-2-(3-methylbut-2-en-1-yl)malonate 

Relevant articles and documents

INFLUENCE DE LA LIPOPHILIE SUR L'OXYDATION BIOLOGIQUE D'UNE CHAINE METHYL-3 BUTYLE EN SERIE BARBITURIQUE

Influence of lipophilicity on biological oxidation of a 3-methylbutyl side chain in a barbiturate series.The lipophilic character of 5-methyl-5-(3-methylbutyl) barbituric acid 3 is lower (Δ logP=0.5) than that of amobarbital, itself lower (Δ logP=0.5) than that of 5-(3-methylbutyl)-5-propyl barbituric acid.The influence of these differences upon biological oxidation was studied.Models of various potential metabolites of 3 were synthesized and compound 3 was administered to rats and dogs. 6.4percent (dogs) or 5.3percent (rats) of non-modified compound 3 and 53.1percent (dogs) or 59.6percent (rats) of a γ-hydroxylated metabolite were recorved in urine.These results compared with those obtained for related compounds show that the influence of lipophilicity upon biological oxidation is not as important as one could suppose.Keywords - lipophilicity / metabolism / barbiturates / chromic oxidation / biological hydroxylation / hydroxybarbiturates