3,3-Dichloro-1-(4-nitrophenyl)piperidin-2-one , 97% , 881386-01-2

CAS NO.：881386-01-2

Empirical Formula: C11H10Cl2N2O3

Molecular Weight: 289.11

MDL number: MFCD23142941

EINECS: 813-183-4

PRODUCT Properties

• Boiling point: 520.2±50.0 °C(Predicted)
• Density: 1.50
• storage temp.: 2-8°C
• solubility: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• form: Solid
• pka: -7.38±0.40(Predicted)
• color: Light Yellow to Yellow
• InChI: InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2
• InChIKey: KKVYXBZVPRSWHE-UHFFFAOYSA-N
• SMILES: N1(C2=CC=C([N+]([O-])=O)C=C2)CCCC(Cl)(Cl)C1=O

Description and Uses

3, 3-dichloro-1 -(4-nitrophenyl) -2-piperidinone is an important pharmaceutical intermediate, as it can be used to prepare apixaban derivatives. Apixaban is a small molecular selective FXa inhibitor of pyrazole derivatives. Similar to Rivaroxaban, apixaban has two binding sites to Factor Xa, where 4-methoxyphenyl in the apixaban structure partially binds the S1 pocket of Factor Xa and aryllactam partially binds the S4 pocket of Factor Xa.

3,??3-??Dichloro-??1-??(4-??nitrophenyl)??piperidin-??2-??one is a reagent used in the preparation of novel tetrahydropyrazolopyridone derivatives. Used in the preparation of anti-coagulants.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338