7391-61-9

Basic information

• Product Name: 5-ethyl-1,3-dimethylbarbituric acid
• Synonyms: 5-ethyl-1,3-dimethylbarbituric acid;1,3-Dimethyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;1,3-Dimethyl-5-ethylbarbituric acid;5-Ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• CAS NO: 7391-61-9
• Molecular Formula: C₈H₁₂N₂O₃
• Molecular Weight: 184.19248
• EINECS: 230-980-7
• Mol File: 7391-61-9.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 253.8°C at 760 mmHg
• Flash Point: 101.3°C
• Appearance: /
• Density: 1.183g/cm³
• Vapor Pressure: 0.0179mmHg at 25°C
• Refractive Index: 1.486
• CAS DataBase Reference: 5-ethyl-1,3-dimethylbarbituric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ethyl-1,3-dimethylbarbituric acid(7391-61-9)
• EPA Substance Registry System: 5-ethyl-1,3-dimethylbarbituric acid(7391-61-9)

Safety Data

• Hazardous Substances Data: 7391-61-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H12N2O3/c1-4-5-6(11)9(2)8(13)10(3)7(5)12/h5H,4H2,1-3H3

Upstream product

• 96-31-1 N,N'-Dimethylurea 
• 601-75-2 ethylmalonic acid 
• 74-96-4 ethyl bromide 
• 769-42-6 1,3-dimethylbarbituric acid 
• 64-17-5 ethanol 
• 58713-03-4 5-acetyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazine 
• 121-44-8 triethylamine 
• 109-89-7 diethylamine 
• 75-03-6 ethyl iodide 
• 77-78-1 dimethyl sulfate 
• 133-13-1 ethyl diethyl malonate 

Relevant articles and documents

Solvation and nucleophilic reactivity of conjugate-base anions of 5-methyl Meldrum's acid and of 3,3-dimethylbarbituric acid in acetonitrile-methanol

Conjugate-base anions of 5-methyl Meldrum's acid and of 1,3-dimethylbarbituric acid give comparable nucleophilic reactivity toward ethyl iodide in acetonitrile and also have specific interaction enthalpies, ΔtHSIAN→MeOH comparable with those of 3,5-dinitrobenzoate ion and of phthalimidide ion, while pKa values in the aqueous phase vary significantly among the series. The results lend support to the view that nucleophilic reactivity in acetonitrile is controlled mainly by the partial desolvation of nucleophilic anions accompanying activation. Variation of the specific interaction enthalpy for the present reactions on going from the initial to the transition-state is much smaller by comparison to those for imidide ion and carboxylate ion reactions. Theoretical analysis of the enthalpy with use of MNDO/PM3 procedures indicates that the steric inhibition of the approaching solvent molecule to the carbonyl oxygen by the group coordinated to the central atom is the main factor bringing about the smaller variation.

Method for synthesizing 5-substituted barbituric acid derivative under catalysis of rare earth chloride

The invention belongs to the technical field of synthetic chemistry, and particularly relates to a method for synthesizing a 5-substituted barbituric acid derivative under the catalysis of a rare earth chloride. The preparation method comprises: dissolving a halogenated hydrocarbon and 1,3-dimethyl barbituric acid in an organic solvent, carrying out a reaction for 6-10 h at a room temperature by using a rare earth chloride as a catalyst, and separating and purifying to obtain the 5-substituted barbituric acid derivative. According to the invention, the method has characteristics of simple andenvironmentally-friendly synthesis process, excellent selectivity, high yield and wide substrate range, and further has wide application value in the fields of biology, pharmaceutical chemistry industry and the like.

Sequential one-pot bimetallic Ir(III)/Pd(0) catalysed mono-/bis-alkylation and spirocyclisation processes of 1,3-dimethylbarbituric acid and allenes

Microwave assisted indirect functionalization of alcohols with 1,3-dimethylbarbituric acid followed by spirocyclisation employing a sequential one-pot Ir(iii)/Pd(0) catalysed process, involving the formation of three new C-C bonds, one spirocyclic ring and one di- or tri-substituted exocyclic alkene, is described. The Royal Society of Chemistry.