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5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate(CAS: 9000-91-3)

5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS Number

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Basic Information

Molecular Formula
C31H27NO4
Molecular Weight
477.55 g/mol
EINECS
232-566-1

Physical Properties

Density
1.37[at 20℃]
Water Solubility
125g/L at 25℃

Chemical Identifiers

SMILES
CCOC(=O)C1=C(NC(=C(C1C#Cc2ccccc2)C(=O)OCc3ccccc3)c4ccccc4)C
InChIKey
SNVFDPHQAOXWJZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00081391

FAQ

5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate is a crystalline compound with a molecular weight of approximately 424.47 g/mol. It has a limited solubility in common organic solvents and is reactive towards nucleophiles and bases. It can undergo electrophilic aromatic substitution and addition reactions.
5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate is typically synthesized via a multi-step process involving the protection of the phenyl group, introduction of the ethynyl group, and subsequent deprotection. Commonly, Suzuki coupling and Buchwald-Hartwig amination are used as key steps.
This compound is used in the pharmaceutical industry for the synthesis of novel drug candidates, in polymer chemistry for the development of functional polymers, and in the semiconductor industry for the production of materials with specific electronic properties. It also finds applications in the preparation of sensors and other advanced materials.
When handling 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate, ensure the use of appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood. Keep the compound away from sources of heat and light. In case of spill, follow standard laboratory safety procedures and refer to the Safety Data Sheet (SDS) for detailed instructions.

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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