| Identification | Back Directory | [Name]
2-Piperidinone, 3,3-dichloro-1-(4-nitrophenyl)- | [CAS]
881386-01-2 | [Synonyms]
Apixaban Impurity 60
3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone
3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one
2-Piperidinone, 3,3-dichloro-1-(4-nitrophenyl)-
3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one
3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one | [EINECS(EC#)]
813-183-4 | [Molecular Formula]
C11H10Cl2N2O3 | [MDL Number]
MFCD23142941 | [MOL File]
881386-01-2.mol | [Molecular Weight]
289.115 |
| Chemical Properties | Back Directory | [Boiling point ]
520.2±50.0 °C(Predicted) | [density ]
1.50 | [storage temp. ]
Sealed in dry,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 |
| Hazard Information | Back Directory | [Description]
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. | [Uses]
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. |
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