74519-13-4

Basic information

• Product Name: 1,6-dimethylpyrimidin-4(1H)-one
• CAS NO: 74519-13-4
• Molecular Formula: C₆H₈N₂O
• Molecular Weight: 124.1405
• Mol File: 74519-13-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 193.5°C at 760 mmHg
• Flash Point: 70.8°C
• Density: 1.11g/cm³
• Vapor Pressure: 0.463mmHg at 25°C
• Refractive Index: 1.543
• CAS DataBase Reference: 1,6-dimethylpyrimidin-4(1H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,6-dimethylpyrimidin-4(1H)-one(74519-13-4)
• EPA Substance Registry System: 1,6-dimethylpyrimidin-4(1H)-one(74519-13-4)

Safety Data

• Hazardous Substances Data: 74519-13-4(Hazardous Substances Data)

Usage

Chemical structure

Pyrimidine derivative with two methyl groups attached to the 1 and 6 positions of the pyrimidine ring

Applications

a. Intermediate in the synthesis of pharmaceuticals and agrochemicals

Potential biological activities

antiviral and anti-inflammatory properties

Versatility

Utilized as a building block in organic synthesis for the production of various functional molecules for pharmaceutical and agricultural applications.

Upstream product

• 186581-53-3 diazomethane 
• 3524-87-6 6-methyl-3H-pyrimidin-4-one 
• 859740-14-0 4-amino-1,6-dimethyl-1H-pyrimidine-2-thione 
• 24888-93-5 6-methyl-2-(methylsulfanyl)pyrimidin-4-amine 
• 14394-60-6 2-chloro-6-methyl-pyrimidin-4-ylamine 
• 3435-28-7 6-methylpyrimidin-4-ylamine 

Downstream Products

• 14027-64-6 1.3.6-Trimethyl-4-oxo-1H.4H-pyrimidinium-iodid 

Relevant articles and documents

TAUTOMERIC EQUILIBRIA OF 2(4)-MONOOXOPYRIMIDINES IN THE GAS PHASE, IN LOW-TEMPERATURE MATRICES AND IN SOLUTION

IR absorption spectra, including the NH, OH and C=O stretching regions, have been recorded for 4-oxo-6-methyl- and 2-oxo-4,6-dimethyl pyrimidines and several related derivatives, in the gas phase, in low-temperature inert matrices, and in several liquid solvents.All the 4-oxopyrimidines in the gas phase, and 4-oxo-6-methylpyrimidine in low-temperature matrices, exhibit comparable populations of the keto and enol forms.By contrast the 2-oxopyrimidines are predominantly in the enol forms.Both classes of compounds are predominantly in the keto form in liquid solvent systems.The tautomeric equilibrium constant (KT) in the vapour phase for 4-oxo-2,6-dimethylpyrimidine is about 2, and for the other 4-oxopyrimidines is about 1.For 4-oxo-6-methylpyrimidine, the equilibrium constant in inert matrices varies slightly with the activity of the matrix gas, with the keto tautomer favoured in the more active matrix.From the temperature-dependence of KT, the free energy difference between the two tautomeric forms of 4-oxo-6-methylpyrimidine in the vapour phase has been calculated.Heats of vaporization have also been calculated for the various compounds and related to their abilities to associate by hydrogen bonding in the condensed phase.The UV absorption spectra of some of the foregoing have also been recorded in the gas phase, but these were of only limited value in studies of tautomeric equilibria, as compared to the IR spectra.