CAS No.73955-55-2,4-Pyrimidinecarboxylicacid,2-methyl-,methylester(9CI) Suppliers

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Molecular Structure:
CAS No.:	73955-55-2
Name:	4-Pyrimidinecarboxylicacid,2-methyl-,methylester(9CI)
Article Data:	2

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.06
Synonyms:	Methyl 2-methyl-4-pyrimidinecarboxylate;
Density:	1.17 g/cm³
Boiling Point:	221.789 °C at 760 mmHg
Flash Point:	87.935 °C
PSA:	52.08000
LogP:	0.57160

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Specification

The 4-Pyrimidinecarboxylicacid, 2-methyl-, methyl ester, with the CAS registry number 73955-55-2, is also known as Methyl 2-methyl-4-pyrimidinecarboxylate. It belongs to the product categories of Carboxylicester; Glycinescaffold. This chemical's molecular formula is C₇H₈N₂O₂ and molecular weight is 152.06. What's more, its IUPAC name is called Methyl 2-methylpyrimidine-4-carboxylate.

Physical properties about 4-Pyrimidinecarboxylicacid, 2-methyl-, methyl ester are: (1)ACD/LogP: 1.059; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 89.73; (8)ACD/KOC (pH 7.4): 89.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 39.033 cm³; (15)Molar Volume: 130.049 cm³; (16)Polarizability: 15.474×10^-24cm³; (17)Surface Tension: 45.66 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 87.935 °C; (20)Enthalpy of Vaporization: 45.824 kJ/mol; (21)Boiling Point: 221.789 °C at 760 mmHg; (22)Vapour Pressure: 0.105 mmHg at 25 °C.

Uses of 4-Pyrimidinecarboxylicacid, 2-methyl-, methyl ester: it is used to produce other chemicals. For example, it can react with phenylacetonitrile to get 3-(2-Methyl-4-pyrimidinyl)-3-oxo-2-phenylpropionitrile. The reaction occurs with reagent NaOEt and other condition of heating for 1 hour. The yield is 38 %.

4-Pyrimidinecarboxylicacid, 2-methyl-, methyl ester can react with phenylacetonitrile to get 3-(2-Methyl-4-pyrimidinyl)-3-oxo-2-phenylpropionitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccnc(C)n1
(2) InChI: InChI=1S/C7H8N2O2/c1-5-8-4-3-6(9-5)7(10)11-2/h3-4H,1-2H3
(3) InChIKey: HEUBBCMIYRXETJ-UHFFFAOYSA-N