ETHYL 4-QUINAZOLONE-2-CARBOXYLATE

The 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number 29113-33-5, is also known as Ethyl 4-quinazolone-2-carboxylate. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinazolines. This chemical's molecular formula is C₁₁H₁₀N₂O₃ and molecular weight is 218.2087. Its IUPAC name is called ethyl 4-oxo-1H-quinazoline-2-carboxylate. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contact with skin and eyes. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 1.79; (6)ACD/KOC (pH 5.5): 53.1; (7)ACD/KOC (pH 7.4): 52.58; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 57.15 cm³; (13)Molar Volume: 162.2 cm³; (14)Surface Tension: 50.1 dyne/cm; (15)Density: 1.34 g/cm³; (16)Flash Point: 173.8 °C; (17)Enthalpy of Vaporization: 60.98 kJ/mol; (18)Boiling Point: 363.7 °C at 760 mmHg; (19)Vapour Pressure: 1.77E-05 mmHg at 25°C.

Uses of 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: it can be used to produce 2-(4-methyl-piperazine-1-carbonyl)-3H-quinazolin-4-one with 1-methyl-piperazine at ambient temperature. This reaction will need reagents Na and methanol with reaction time of 1 hour. The yield is about 55%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NC(=O)C2=CC=CC=C2N1
(2)InChI: InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
(3)InChIKey: BMCAWNQKVVTNFP-UHFFFAOYSA-N