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2-[Benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate hydrochloride (1:1)(CAS: 54527-84-3)

2-[Benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C26H30ClN3O6
Molecular Weight
516 g/mol

Physical Properties

Melting Point
179-187°C
Boiling Point
603.4°C at 760 mmHg
Flash Point
318.7°C

Chemical Identifiers

SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl
InChIKey
AIKVCUNQWYTVTO-UHFFFAOYSA-N

Database References

MDL Number
MFCD00057327

FAQ

The compound is a white crystalline solid with a molecular weight of approximately 619.37 g/mol. It is soluble in organic solvents like DMSO and DMF but has low water solubility. Chemically, it is highly reactive due to the presence of the nitro group and carboxylate ester. It exhibits good stability under neutral and slightly basic conditions but degrades under acidic conditions.
The compound is synthesized via a multi-step process involving the synthesis of 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid, followed by the condensation with 2-(benzylmethylamino)ethanol. The reaction is typically carried out in the presence of a catalytic amount of a strong acid, such as trifluoroacetic acid, with a yield of up to 85%.
This compound is primarily used in the pharmaceutical industry for drug synthesis, particularly in the development of antimicrobial and antiviral agents. It is also explored for its potential in sensor technology and semiconductor applications due to its chemical reactivity and functional groups.
When handling this compound, safety goggles and gloves are required. It should be stored under nitrogen to prevent oxidation. Spills should be handled in a fume hood. Do not inhale the compound or its fumes. Always refer to the Safety Data Sheet (SDS) for detailed safety information. Ensure proper ventilation and work in a well-ventilated area or fume hood.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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