Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate , 95% , 536759-91-8

CAS NO.：536759-91-8

Empirical Formula: C22H20N4O6

Molecular Weight: 436.42

MDL number: MFCD18251627

EINECS: 611-033-0

PRODUCT Properties

• Melting point: 190-192°C
• Boiling point: 658.7±55.0 °C(Predicted)
• Density: 1.40
• vapor pressure: 0Pa at 25℃
• storage temp.: Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• pka: -3.80±0.20(Predicted)
• form: Solid
• color: 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

Description and Uses

Ethyl 1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is an intermediate in the synthesis of Apixaban (A726700), a potent, direct, selective, and orally active inhibitor of coagulation factor Xa. It is a potential new oral coagulant that may be useful prevention of venous thromboembolism in total hip, knee replacement orthopedic surgery and stroke in treatment of patient with venous thromboembolic disorder or with atrial fibrillation

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H227
• Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235