Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate

Literature citation for methodology (Pfau et al., 2010). A suspension of 2 (15 mg, 0.05mmol) in EtOH (1 mL) was heated at reflux for 1 h. The mixture was concentrated to yield 3 (13mg, 84percent) as a light orange solid. 1H NMR (400 Mz, DMSO-d6) δ 8.80 (s, 1H), 8.36 (s, 1H), 8.09(s, 1H), 7.92 (d, J = 2.3 Hz, 1H), 7.74 (dd, J = 8.7, 2.3 Hz, 1H), 7.53 (d, J = 8.6 Hz, 1H), 4.35 (q, J = 7.1 Hz, 2H), 3.06 (p, J = 6.9 Hz, 1H), 1.36 (t, J = 7.1 Hz, 3H), 1.26 (d, J = 6.9 Hz, 6H). MSm/z 327.0 (M+H)+. HPLC 89percent.Literature citation for methodology (Pfau et al., 2010). A suspension of 2 (15 mg, 0.05mmol) in EtOH (1 mL) was heated at reflux for 1 h. The mixture was concentrated to yield 3 (13mg, 84percent) as a light orange solid. 1H NMR (400 Mz, DMSO-d6) δ 8.80 (s, 1H), 8.36 (s, 1H), 8.09(s, 1H), 7.92 (d, J = 2.3 Hz, 1H), 7.74 (dd, J = 8.7, 2.3 Hz, 1H), 7.53 (d, J = 8.6 Hz, 1H), 4.35 (q, J = 7.1 Hz, 2H), 3.06 (p, J = 6.9 Hz, 1H), 1.36 (t, J = 7.1 Hz, 3H), 1.26 (d, J = 6.9 Hz, 6H). MSm/z 327.0 (M+H)+. HPLC 89percent.Literature citation for methodology (Pfau et al., 2010). A suspension of 2 (15 mg, 0.05mmol) in EtOH (1 mL) was heated at reflux for 1 h. The mixture was concentrated to yield 3 (13mg, 84%) as a light orange solid. 1H NMR (400 Mz, DMSO-d6) delta 8.80 (s, 1H), 8.36 (s, 1H), 8.09(s, 1H), 7.92 (d, J = 2.3 Hz, 1H), 7.74 (dd, J = 8.7, 2.3 Hz, 1H), 7.53 (d, J = 8.6 Hz, 1H), 4.35 (q, J = 7.1 Hz, 2H), 3.06 (p, J = 6.9 Hz, 1H), 1.36 (t, J = 7.1 Hz, 3H), 1.26 (d, J = 6.9 Hz, 6H). MSm/z 327.0 (M+H)+. HPLC 89%.

Molecular Weight:326.3
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:326.12665706
Monoisotopic Mass:326.12665706
Topological Polar Surface Area:91.5
Heavy Atom Count:24
Complexity:495
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes