1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS: 769-42-6

Ref. 3D-FD128015

Product Information

• Name: 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• Synonyms: 1,3-Dimethylbarbituric acid, 1,3-Dimethyl-1,3-diazacyclohexane-2,4,6-trione, 1,3-Dimethyl-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-pyrimidine-2,4,6-trione, 1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-, 6-Hydroxy-1,3-dimethyluracil, Barbituric acid, 1,3-dimethyl-, Dimethylbarbituric acid, N,N'-Dimethylbarbituric acid, N,N′-Dimethyl-2,4,6-pyrimidinetrione, Nsc 61918
• CAS: 769-42-6

Description

1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is a difluoro compound. It has been shown to have hydrogen bonding interactions with copper chloride. FTIR spectroscopy on this molecule shows that the O-H group is involved in hydrogen bonding interaction with the carbonyl group of malonic acid. It also has nucleophilic properties and intramolecular hydrogen bonds. The mechanism for the reaction of 1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione with malonic acid is as follows: The nucleophile attacks the electrophilic carbon atom of the malonic acid and forms an alcoholate intermediate. The reaction proceeds by proton transfer from the hydroxyl group to form an enolate intermediate. Finally, a water molecule is eliminated from the product.

• Brand: Biosynth

Chemical properties

• Molecular weight: 156.14 g/mol
• Formula: C₆H₈N₂O₃
• Purity: Min. 98 Area-%
• Color/Form: Powder
• InChI: InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
• InChI key: InChIKey=VVSASNKOFCZVES-UHFFFAOYSA-N
• SMILES: CN1C(=O)CC(=O)N(C)C1=O