4-Pyrimidinemethanol, 2-methoxy- (9CI)

The 4-Pyrimidinemethanol, 2-methoxy- (9CI), with the CAS registry number 38696-25-2, is also known as (2-Methoxy-pyrimidin-4-yl)-methanol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₈N₂O₂ and molecular weight is 140.14. What's more, its systematic name is called (2-Methoxy-4-pyrimidinyl)methanol.

Physical properties about 4-Pyrimidinemethanol, 2-methoxy- (9CI) are: (1)ACD/LogP: -0.964; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.12; (8)ACD/KOC (pH 7.4): 7.12; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.24 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 35.565 cm³; (15)Molar Volume: 113.7 cm³; (16)Polarizability: 14.099×10^-24cm³; (17)Surface Tension: 52.312 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 137.633 °C; (20)Enthalpy of Vaporization: 57.474 kJ/mol; (21)Boiling Point: 303.964 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 4-Pyrimidinemethanol, 2-methoxy- (9CI): this chemical can be prepared by methanol; sodium salt with (2-methylsulfanyl-pyrimidin-4-yl)-methanol. The reaction occurs with reagent methanol and other condition of heating for 12 hours. The yield is 71 %.

Uses of 4-Pyrimidinemethanol, 2-methoxy- (9CI): it is used to produce other chemicals. For example, it can react with benzoyl chloride to get 4-[(benzoyloxy)methyl]-2-methoxypyrimidine. This reaction needs reagents 4-(dimethylamino)pyridine, triethylamine and solvent CH₂Cl₂ at ambient temperature. The reaction time is 12 hours. The yield is 98 %.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1nccc(n1)CO
(2) InChI: InChI=1S/C6H8N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-3,9H,4H2,1H3
(3) InChIKey: OFHCOYAGHDEURU-UHFFFAOYSA-N