ChemicalBook--->CAS DataBase List--->87625-92-1

87625-92-1

87625-92-1 Structure

87625-92-1 Structure
IdentificationBack Directory
[Name]

Nifedipine Impurity 9
[CAS]

87625-92-1
[Synonyms]

Nifedipine Impurity 9
Nicardipine Impurity A
Nicardipine Impurity85
Nicardipine Cyclohexenone Impurity
Methyl 2-methyl-6-(3-nitrophenyl)4-oxocyclohex-2-ene-1-carboxylate
methyl 3-methyl-3'-nitro-5-oxo-1,2,5,6-tetrahydro-[1,1'-biphenyl]-2-carboxylate
[Molecular Formula]

C15H15NO5
[MOL File]

87625-92-1.mol
[Molecular Weight]

289.28
Chemical PropertiesBack Directory
[Boiling point ]

419.3±45.0 °C(Predicted)
[density ]

1.269±0.06 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Sonicated)
[form ]

Thick Oil to Solid
[color ]

Off-White to Yellow
[InChI]

InChI=1S/C15H15NO5/c1-9-6-12(17)8-13(14(9)15(18)21-2)10-4-3-5-11(7-10)16(19)20/h3-7,13-14H,8H2,1-2H3
[InChIKey]

DRIQTXKHWGPNKI-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)C(C2=CC=CC([N+]([O-])=O)=C2)CC(=O)C=C1C
Hazard InformationBack Directory
[Uses]

Methyl 2-Methyl-6-(3-nitrophenyl)-4-oxo-2-cyclohexene-1-carboxylate is a nicardipine impurity. Also, it is derived from Methyl Acetoacetate (O848425), which is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.
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