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Name |
2-Methyl-4-pyrimidinecarboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 76240-14-7 | Density | 1.134 g/cm3 |
PSA | 52.08000 | LogP | 0.96170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N2O2 | Boiling Point | 239.794 °C at 760 mmHg |
Molecular Weight | 166.18 | Flash Point | 98.824 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 2-methylpyrimidine-4-carboxylate; |
Article Data | 2 |
The 4-Pyrimidinecarboxylicacid, 2-methyl-, ethyl ester, with the CAS registry number 76240-14-7, is also known as 2-Methyl-pyrimidine-4-carboxylic acid ethyl ester. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.1772. What's more, its systematic name is called Ethyl 2-methylpyrimidine-4-carboxylate.
Physical properties about 4-Pyrimidinecarboxylicacid, 2-methyl-, ethyl ester: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.452; (4)ACD/LogD (pH 7.4): 1.452; (5)ACD/BCF (pH 5.5): 7.479; (6)ACD/BCF (pH 7.4): 7.479; (7)ACD/KOC (pH 5.5): 146.938; (8)ACD/KOC (pH 7.4): 146.938; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 43.666 cm3; (15)Molar Volume: 146.556 cm3; (16)Surface Tension: 44.183 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 98.824 °C; (19)Enthalpy of Vaporization: 47.669 kJ/mol; (20)Boiling Point: 239.794 °C at 760 mmHg; (21)Vapour Pressure: 0.039 mmHg at 25 °C.
Uses of 4-Pyrimidinecarboxylicacid, 2-methyl-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce N-(2-Methyl-pyrimidine-4-carbonyl)-N',N''-diphenyl-guanidine. This reaction needs reagent Sodium hydride and solvent Tetrahydrofuran and other condition of heating for 7 hours. The yield is 71 %.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ccnc(n1)C
(2) InChI: InChI=1/C8H10N2O2/c1-3-12-8(11)7-4-5-9-6(2)10-7/h4-5H,3H2,1-2H3
(3) InChIKey: COHAOGKPYSIRFC-UHFFFAOYAN