ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Bezeichnung:ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS-Nr536759-91-8
Englisch Name:ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CBNumberCB12510065
SummenformelC22H20N4O6
Molgewicht436.42
MOL-Datei536759-91-8.mol
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate physikalisch-chemischer Eigenschaften
Schmelzpunkt | 190-192°C |
Siedepunkt | 658.7±55.0 °C(Predicted) |
Dichte | 1.40 |
Dampfdruck | 0Pa at 25℃ |
storage temp. | Sealed in dry,Room Temperature |
Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
pka | -3.80±0.20(Predicted) |
Aggregatzustand | Solid |
Farbe | Pale Brown to Light Orange |
InChI | InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3 |
InChIKey | RQNAOIQEGPVYTC-UHFFFAOYSA-N |
SMILES | C1(=O)N(C2=CC=C([N+]([O-])=O)C=C2)CCC2C(C(OCC)=O)=NN(C3=CC=C(OC)C=C3)C1=2 |
LogP | 3.59 at 23℃ and pH6.57 |