CAS No.76240-14-7,4-Pyrimidinecarboxylicacid,2-methyl-,ethylester(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76240-14-7
Name:	4-Pyrimidinecarboxylicacid,2-methyl-,ethylester(9CI)
Article Data:	2

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	Ethyl 2-methylpyrimidine-4-carboxylate;
Density:	1.134 g/cm³
Boiling Point:	239.794 °C at 760 mmHg
Flash Point:	98.824 °C
PSA:	52.08000
LogP:	0.96170

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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