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| CAS No.: | 38696-25-2 |
|---|---|
| Name: | 4-Pyrimidinemethanol, 2-methoxy- (9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H8N2O2 |
| Molecular Weight: | 140.14 |
| Synonyms: | (2-Methoxypyrimidin-4-yl)methanol; |
| Density: | 1.233 g/cm3 |
| Boiling Point: | 303.964 °C at 760 mmHg |
| Flash Point: | 137.633 °C |
| PSA: | 55.24000 |
| LogP: | -0.02250 |
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- Total:8 Page 1 of 1 1
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Specification
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 %.
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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 %.
![4-Pyrimidinemethanol, 2-methoxy- (9CI) can react with benzoyl chloride to get 4-[(benzoyloxy)methyl]-2-methoxypyrimidine.](/UserFilesUpload/Uses of 4-Pyrimidinemethanol, 2-methoxy- (9CI).jpg)
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