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CAS Number: 68301-99-5
ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate

Structure

ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
Name: ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
Synonyms:
General Information
Product Number: 68301995
CAS Registry Number: 68301-99-5
Name:
5H-​[1]​Benzopyrano[2,​3-​b]​pyridine-​3-​carboxylic acid, 2-​amino-​7-​(1-​methylethyl)​-​5-​oxo-​, ethyl ester
 
Chemical Formula: C18H18N2O4
Exact Mass: 326.13
Molecular Weight: 326.35
m/z: 326.13 (100.0%), 327.13 (19.8%), 328.13 (2.8%)
Elemental Analysis: C, 66.25; H, 5.56; N, 8.58; O, 19.61
 
InChI: InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
InChIKey: PFDJAEKKGJFCNL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N
 
Thermal Properties Value Condition Note
Melting Point 243-244 °C Solv: ethanol (64-17-5) (1)IC
Melting Point 243-244 °C Solv: ethanol (64-17-5) (2)IC

Specification

98%

References
  1. (1) Nohara, Akira; Journal of Medicinal Chemistry 1985, V28(5), P559-68 CAPLUS
  2. (2) Nohara, Akira; JP 61010588 A 1986 CAPLUS
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