4-Chloro-6-(MethoxyMethyl)-2-MethylpyriMidine

The Pyrimidine, 4-chloro-6-(methoxymethyl)-2-methyl- has the CAS registry number 3122-81-4. This chemical's molecular formula is C₇H₉ClN₂O and molecular weight is 172.61. What's more, its systematic name is 4-chloro-6-(methoxymethyl)-2-methyl-pyrimidine.

Physical properties of Pyrimidine, 4-chloro-6-(methoxymethyl)-2-methyl- are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.114; (4)ACD/LogD (pH 7.4): 1.114; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 4.14; (7)ACD/KOC (pH 5.5): 96.223; (8)ACD/KOC (pH 7.4): 96.223; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 43.45 cm³; (15)Molar Volume: 143.286 cm³; (16)Polarizability: 17.225×10^-24cm³; (17)Surface Tension: 42.266 dyne/cm; (18)Density: 1.205 g/cm³; (19)Flash Point: 88.046 °C; (20)Enthalpy of Vaporization: 43.977 kJ/mol; (21)Boiling Point: 221.972 °C at 760 mmHg; (22)Vapour Pressure: 0.155 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-methoxymethyl-2-methyl-3H-pyrimidin-4-one by heating. This reaction will need reagent POCl₃ with the reaction time of 1 hour. The yield is about 80%.

Uses of Pyrimidine, 4-chloro-6-(methoxymethyl)-2-methyl-: it can be used to produce 4-methoxymethyl-2-methylpyrimidine. It will need reagents conc. NH₄OH, hydrogen and solvent methanol with the reaction time of hours. This reaction will also need catalyst 10% Pd-C. The yield is about 59%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(cc(n1)Cl)COC
(2)Std. InChI: InChI=1S/C7H9ClN2O/c1-5-9-6(4-11-2)3-7(8)10-5/h3H,4H2,1-2H3
(3)Std. InChIKey: QLPMACVIRPWEKZ-UHFFFAOYSA-N