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CAS Number: 29113-33-5
ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate

Structure

ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate
Name: ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate
Synonyms:
General Information
Product Number: 29113335
CAS Registry Number: 29113-33-5
Name:
        2-​Quinazolinecarboxyli​c acid, 3,​4-​dihydro-​4-​oxo-​, ethyl ester
        2-​Quinazolinecarboxyli​c acid, 1,​4-​dihydro-​4-​oxo-​, ethyl ester (9CI); 2-​(Ethoxycarbonyl)​-​4-​oxo-​3,​4-​dihydro-​2-​quinazoline; Ethyl 4-​oxo-​3,​4-​dihydroquinazoline-​2-​carboxylate; NSC 159700 
 
Chemical Formula: C11H10N2O3
Exact Mass: 218.07
Molecular Weight: 218.21
m/z: 218.07 (100.0%), 219.07 (12.8%)
Elemental Analysis: C, 60.55; H, 4.62; N, 12.84; O, 22.00
 
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)
InChIKey: BMCAWNQKVVTNFP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC(=O)C2=CC=CC=C2N1
 
Thermal Properties Value Condition Note
Melting Point 193-194 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 192 °C Solv: benzene (71-43-2) (4)IC
Melting Point 191 °C   (7)IC
Melting Point 190-191 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 185-186 °C Solv: ethanol (64-17-5) (5)IC

Specification

98%

References
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  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Bartholomew, D.; Tetrahedron Letters 1979, (30), P2827-30 CAPLUS
  8. (8) Shemchuk, L. A.; Russian Journal of Organic Chemistry 2007, V43(5), P719-722 CAPLUS
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  12. (12) Zhou, Hai-Bin; Journal of Organic Chemistry 2007, V72(16), P6270-6272 CAPLUS
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