ChemicalBook--->CAS DataBase List--->21881-78-7

21881-78-7

21881-78-7 Structure

21881-78-7 Structure
IdentificationBack Directory
[Name]

1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(1-methylethyl) ester
[CAS]

21881-78-7
[Synonyms]

Nimodipine EP Imp B
Nimodipine Impurity 2
Nilvadipine Impurity D
Nitrendipine Impurity 8
Nimodipine EP Impurity B
Nitrendipine Impurity1224
Nimodipine Impurity B Control
Bis(1-methylethyl) 2,6-Dimethyl-4-(
3-Des(2-methoxyethyl) 3-(1-Methylethyl) Ester Nimodipine
diisopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3,5-diisopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
(RS)-Di-iso-propyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Bis(1-methylethyl) 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(1-methylethyl) ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-bis(1-methylethyl) ester
[Molecular Formula]

C21H26N2O6
[MDL Number]

MFCD00347775
[MOL File]

21881-78-7.mol
[Molecular Weight]

402.44
Chemical PropertiesBack Directory
[Melting point ]

123-125℃ (ethanol )
[Boiling point ]

512.1±50.0 °C(Predicted)
[density ]

1.186±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[pka]

2.94±0.70(Predicted)
[color ]

Pale Beige
[Stability:]

Hygroscopic
[InChI]

1S/C21H26N2O6/c1-11(2)28-20(24)17-13(5)22-14(6)18(21(25)29-12(3)4)19(17)15-8-7-9-16(10-15)23(26)27/h7-12,19,22H,1-6H3
[InChIKey]

UPOXKUKUWZYRQV-UHFFFAOYSA-N
[SMILES]

CC1=C(C(OC(C)C)=O)C(C(C(OC(C)C)=O)=C(C)N1)C2=CC=CC([N+]([O-])=O)=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-Des(2-methoxyethyl) 3-(1-Methylethyl) Ester Nimodipine (Nimodipine EP Impurity B) can be used in synthetic preparation of dihydropyridinedicarboxylic acid esters by methylimidazolium trifluoroacetate-catalyzed Hantzsch cyclocondensation reaction of oxo-carboxylic acid esters with aldehydes and ammonium acetate. It can also be used as an analyte for analytical study in developing and optimizing a validated isocratic reversed-phase high-performance liquid chromatograhy separation of nimodipine and impurities in tablets using experimental. design methodology. It is an impurity of the drug Nimodipine (N478200).
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