2-(CHLOROMETHYL)-4,6-DIMETHYLPYRIMIDINE

The Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- has CAS registry number 74502-83-3. This chemical's molecular formula is C₇H₉ClN₂ and molecular weight is 156.61. What's more, its systematic name is 2-(Chloromethyl)-4, 6-dimethylpyrimidine.

Physical properties about Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.76; (8)ACD/KOC (pH 7.4): 94.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 41.85 cm³; (15)Molar Volume: 136.1 cm³; (16)Polarizability: 16.59×10^-24 cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 104.3 °C; (20)Enthalpy of Vaporization: 43.31 kJ/mol; (21)Boiling Point: 215.2 °C at 760 mmHg; (22)Vapour Pressure: 0.219 mmHg at 25 °C.

Preparation of Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl-: this chemical is prepared by (4, 6-Dimethyl-pyrimidin-2-yl)-methanol by heating. The reaction needs reagent POCl₃ and solvent CHCl₃. The reaction time is 3 hours. The yield is about 90 %.

Uses of Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 4, 6-Dimethyl-2-(2-propynyloxymethyl)pyrimidine by heating. The reaction needs reagent 80 % NaH and solvent Tetrahydrofuran. The reaction time is 3 hours. The yield is about 82 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C)nc(CCl)n1
(2) InChI: InChI=1/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
(3) InChIKey: RVPRPXSYGUYDMT-UHFFFAOYAL