CAS No.155960-91-1,ethyl 3,4-dihydro-4-oxoquinazoline-6-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	155960-91-1
Name:	ethyl 3,4-dihydro-4-oxoquinazoline-6-carboxylate

Formula:	C₁₁H₁₀N₂O₃
Molecular Weight:	218.2087
Synonyms:	6-Quinazolinecarboxylicacid, 1,4-dihydro-4-oxo-, ethyl ester (9CI);
Density:	1.34 g/cm³
Boiling Point:	451.1 °C at 760 mmHg
Flash Point:	226.6 °C
PSA:	72.05000
LogP:	1.09980

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Specification

The 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester is an organic compound with the formula C₁₁H₁₀N₂O₃. The IUPAC name of this chemical is Ethyl 4-oxo-1H-quinazoline-6-carboxylate. With the CAS registry number 155960-91-1, it is also named as Ethyl 3,4-dihydro-4-oxoquinazoline-6-carboxylate. The product's category is chiral chemicals. Besides, its molecular weight is 218.2087.

Physical properties about 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 67.76 Å²; (8)Index of Refraction: 1.622; (9)Molar Refractivity: 57.15 cm³; (10)Molar Volume: 162.2 cm³; (11)Polarizability: 22.65×10^-24 cm³; (12)Surface Tension: 50.1 dyne/cm; (13)Density: 1.34 g/cm³; (14)Flash Point: 226.6 °C; (15)Enthalpy of Vaporization: 71.01 kJ/mol; (16)Boiling Point: 451.1 °C at 760 mmHg; (17)Vapour Pressure: 2.5E-08 mmHg at 25 °C.

Uses of 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: it can be used to produce 4-chloro-quinazoline-6-carboxylic acid ethyl ester. It will need reagent POCl₃ with reaction time of 3 hours. And this reaction will need heating.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
(2)InChIKey: PLBXHLDCTMXWKA-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
(4)Std. InChIKey: PLBXHLDCTMXWKA-UHFFFAOYSA-N