CAS No.155960-94-4,ethyl 4-chloroquinazoline-6-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	155960-94-4
Name:	ethyl 4-chloroquinazoline-6-carboxylate
Article Data:	4

Formula:	C₁₁H₉ClN₂O₂
Molecular Weight:	236.658
Synonyms:	Ethyl 4-chloroquinazoline-6-carboxylate;
Density:	1.342 g/cm³
Boiling Point:	366.548 °C at 760 mmHg
Flash Point:	175.482 °C
PSA:	52.08000
LogP:	2.45990

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Specification

The CAS register number of Ethyl 4-chloroquinazoline-6-carboxylate is 155960-94-4. It also can be called as 6-Quinazolinecarboxylic acid, 4-chloro-, ethyl ester and the systematic name about this chemical is ethyl 4-chloroquinazoline-6-carboxylate. The molecular formula about this chemical is C₁₁H₉ClN₂O₂and molecular weight is 236.65. It belongs to the Chiral Chemicals.

Physical properties about Ethyl 4-chloroquinazoline-6-carboxylate are: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 27; (5)ACD/BCF (pH 7.4): 27; (6)ACD/KOC (pH 5.5): 371; (7)ACD/KOC (pH 7.4): 371; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.08Å²; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 61.579 cm³; (13)Molar Volume: 176.347 cm³; (14)Polarizability: 24.412x10^-24cm³; (15)Surface Tension: 54.846 dyne/cm; (16)Flash Point: 175.482 °C; (17)Enthalpy of Vaporization: 61.298 kJ/mol; (18)Boiling Point: 366.548 °C at 760 mmHg.

Preparation: this chemical can be prepared by 4-oxo-3,4-dihydro-quinazoline-6-carboxylic acid ethyl ester at heating. This reaction will need reagent POCl₃. The reaction time is 3 hour(s). The yield is about 31%.

Uses of Ethyl 4-chloroquinazoline-6-carboxylate: it can be used to produce 4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carboxylic acid ethyl ester with C-benzo[1,3]dioxol-5-yl-methylamine at heating. This reaction will need reagent Na₂CO₃ and solvent propan-2-ol, tetrahydrofuran. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1c2cc(cc1)C(=O)OCC
(2)InChI: InChI=1/C11H9ClN2O2/c1-2-16-11(15)7-3-4-9-8(5-7)10(12)14-6-13-9/h3-6H,2H2,1H3
(3)InChIKey: ADKCJHRCXSXELJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-3-4-9-8(5-7)10(12)14-6-13-9/h3-6H,2H2,1H3
(5)Std. InChIKey: ADKCJHRCXSXELJ-UHFFFAOYSA-N