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2-Methyl-4-pyrimidinecarboxylic acid ethyl ester

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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 Molecular Structure of 76240-14-7 (4-Pyrimidinecarboxylicacid,2-methyl-,ethylester(9CI)) Hazard Symbols N/A
Synonyms

Ethyl 2-methylpyrimidine-4-carboxylate;

Article Data 2

2-Methyl-4-pyrimidinecarboxylic acid ethyl ester Specification

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 %.

4-Pyrimidinecarboxylicacid, 2-methyl-, ethyl ester  is used to produce N-(2-Methyl-pyrimidine-4-carbonyl)-N',N''-diphenyl-guanidine.

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

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