Basic Information | Post buying leads | Suppliers |
Name |
4(3H)-Pyrimidinone,6-ethyl-2-methyl- |
EINECS | N/A |
CAS No. | 52421-75-7 | Density | 1.119 g/cm3 |
PSA | 46.01000 | LogP | 1.05300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H10N2O | Boiling Point | 249.3 °C at 760 mmHg |
Molecular Weight | 138.169 | Flash Point | 104.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone,6-ethyl-2-methyl- (9CI);4-Pyrimidinol, 6-ethyl-2-methyl- (7CI);6-Ethyl-2-methyl-4-hydroxypyrimidine; |
The 4(3H)-Pyrimidinone,6-ethyl-2-methyl-, with CAS registry number 52421-75-7, is also named as 4-pyrimidinol, 6-ethyl-2-methyl-. Its molecular formula is C7H10N2O and its systematic name is 6-ethyl-2-methylpyrimidin-4-ol. Additionally, it belongs to the product category Pyrimidine.
Physical properties of 4(3H)-Pyrimidinone,6-ethyl-2-methyl- are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.7; (6)ACD/KOC (pH 7.4): 6.58; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 38.69 cm3; (13)Molar Volume: 123.4 cm3; (14)Polarizability: 15.33×10-24cm3; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 104.5 °C; (18)Enthalpy of Vaporization: 50.62 kJ/mol; (19)Boiling Point: 249.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0147 mmHg at 25°C.
Preparation of the 4(3H)-Pyrimidinone,6-ethyl-2-methyl-: It can be prepared by 3-aceatmido-2-pentenamide. This reaction will need reagent sodium methoxide and solvent methanol. The reaction time is 1.5 hours. Moreover, its yield is about 86 %.
Uses of the 4(3H)-Pyrimidinone,6-ethyl-2-methyl-: It can be used to produce 4-chloro-6-ethyl-2-methyl-pyrimidine. This reaction will need reagent POCl3. The reaction time is 2 hours and its yield is about 41 %.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(O)nc(C)n1
(2)InChI: InChI=1/C7H10N2O/c1-3-6-4-7(10)9-5(2)8-6/h4H,3H2,1-2H3,(H,8,9,10)
(3)InChIKey: VDXKPQUYEALWON-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H10N2O/c1-3-6-4-7(10)9-5(2)8-6/h4H,3H2,1-2H3,(H,8,9,10)
(5)Std. InChIKey: VDXKPQUYEALWON-UHFFFAOYSA-N