66968-69-2

Basic information

• Product Name: 5-Ethyl-5-(2-methylallyl)barbituric acid
• Synonyms: 5-Ethyl-5-(2-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Ethyl-5-(2-methylallyl)barbituric acid
• CAS NO: 66968-69-2
• Molecular Formula: C10H14N2O3
• Molecular Weight: 210.2298
• Mol File: 66968-69-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.109g/cm³
• Refractive Index: 1.47
• CAS DataBase Reference: 5-Ethyl-5-(2-methylallyl)barbituric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Ethyl-5-(2-methylallyl)barbituric acid(66968-69-2)
• EPA Substance Registry System: 5-Ethyl-5-(2-methylallyl)barbituric acid(66968-69-2)

Safety Data

• Hazardous Substances Data: 66968-69-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14N2O3/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15)

Upstream product

• 2518-72-1 5-ethyl barbituric acid 
• 563-47-3 3-Chloro-2-methylpropene 
• 56640-39-2 ethyl-(2-methyl-allyl)-malonic acid diethyl ester 
• 57-13-6 urea 

Relevant articles and documents

Competition between the β-hydroxylation of a primary and a tertiary carbon atom in rats

In order to study the effect of steric hindrance on competition between two kinds of β-hydroxylation, a compound bearing on a pyrimidinetrione nucleus both a branched side chain with a tertiary carbon atom in position β (isobutyl group) and a linear side chain (ethyl group), was selected and administered to rats. Urine and faeces were collected and extracted. Hydroxymetabolites and their derivatives were isolated and then identified. The β-hydroxylation of the linear chain was more important than the β-hydroxylation of the branched chain. Steric hindrance plays a decisive role in this regioselectivity.