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5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester

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Name

5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester

EINECS N/A
CAS No. 5395-36-8 Density 1.169 g/cm3
PSA 70.92000 LogP 1.84640
Solubility N/A Melting Point 202-203 °C
Formula C14H16N2O3 Boiling Point 386.34 °C at 760 mmHg
Molecular Weight 260.293 Flash Point 187.452 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5395-36-8 (2-HYDROXY-6-METHYL-4-PHENYL-1,4-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER) Hazard Symbols IrritantXi
Synonyms

1,2,3,4-Tetrahydro-6-methyl-2-oxo-4-phenyl-5-Pyrimidinecarboxylicacid ethyl ester;5-(Ethoxycarbonyl)-4-phenyl-6-methyl-3,4-dihydropyrimidin-2(1H)-one;5-Ethoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one;6-Methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethylester;Ethyl 2-hydroxy-6-methyl-4-phenyl-3,4-dihydropyrimidine-5-carboxylate;NSC 14857;NSC 24338;NSC 2780;NSC 5975;

Article Data 145

5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester Specification

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.

preparation of  5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester

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;

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