2-HYDROXY-6-METHYL-4-PHENYL-1,4-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

The 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester, with the CAS registry number 5395-36-8, is also known as Ethyl 2-hydroxy-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate. It belongs to the product category of Dihydropyridine Class Chemicals. This chemical's molecular formula is C14H16N2O3 and molecular weight is 260.29. Its systematic name is called ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.758; (4)ACD/LogD (pH 7.4): 2.757; (5)ACD/BCF (pH 5.5): 73.412; (6)ACD/BCF (pH 7.4): 73.393; (7)ACD/KOC (pH 5.5): 753.574; (8)ACD/KOC (pH 7.4): 753.382; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 69.605 cm3; (14)Molar Volume: 222.591 cm3; (15)Surface Tension: 40.053 dyne/cm; (16)Density: 1.169 g/cm3; (17)Flash Point: 187.452 °C; (18)Enthalpy of Vaporization: 63.526 kJ/mol; (19)Boiling Point: 386.34 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester: This chemical can be prepared by acetoacetic acid ethyl ester and 1,1'-phenylmethanediyl-bis-urea. This reaction will need reagent alcohol.

Uses of 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester: it can be used to produce 4-methyl-3,9beta-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione at temperature of 90 °C. This reaction will need reagent aluminium chloride, acetyl chloride and solvent nitrobenzene with reaction time of 4 hours. The yield is about 42%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1=C(NC(=O)NC1c2ccccc2)C;
(2)InChI: InChI=1/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,18);
(3)InChIKey: URMNHHAUVFEMIG-UHFFFAOYAB;