3,3-Dichloro-1-(4-nitrophenyl)piperidin-2-one Chemical 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

3,3-Dichloro-1-(4-nitrophenyl)piperidin-2-one Usage And Synthesis

Physical Form

Light Yellow to Yellow Solid

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.

3,3-Dichloro-1-(4-nitrophenyl)piperidin-2-one(881386-01-2)Related Product Information

• Apixaban Impurity 16
• (4,4'‐didodecyl‐2,2'‐ bithiophene‐5,5'‐ diyl)bis(triMethylstann ane)
• Apixaban-13C-D3
• Apixaban IMpurity 5 (BMS-591329-01)
• Apixaban IMpurity(BMS-778960-01)
• ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
• Ethyl (2Z)-chloro[(4-methoxyphenyl)hydrazono]ethanoate
• 1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
• 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
• 1-(4-Methoxyphenyl)-6-(4-(2-Methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide
• Apixaban
• Apixaban IMpurity(
• Apixaban IMpurity 6
• 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
• Apixaban IMpurity 3
• Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], ethyl ester
• ETHYL (2E)-CHLORO[(4-CHLOROPHENYL)HYDRAZONO]ACETATE
• 1-(4-chlorophenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide