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Ethyl 4-hydroxy-methyl-2-methyl-pyridine-5-carboxyl-ate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
Researchers synthesized a novel compound, C(10)H(13)NO(3), as a byproduct of an aldolization reaction. The crystal structure reveals molecular chains formed by hydrogen bonding.
Area of Science:
- Organic Chemistry
- Crystallography
- Medicinal Chemistry
Background:
- Aldolization reactions are fundamental in organic synthesis.
- Furo[3,4-c]pyridin-3(1H)-one and thiophene-2-carboxaldehyde are key building blocks.
- Understanding byproduct formation aids reaction optimization.
Purpose of the Study:
- To characterize a novel compound formed as a byproduct.
- To elucidate the crystal structure and intermolecular interactions.
- To explore the chemical properties of the synthesized molecule.
Main Methods:
- Aldolization reaction synthesis.
- Single-crystal X-ray diffraction analysis.
- Structural elucidation and characterization.
Main Results:
- The title compound, C(10)H(13)NO(3), was isolated as a reaction byproduct.
- Structural analysis showed near-planar pyridine ring substituents with a hydroxymethyl group rotation of 8.1(2)°.
- Crystal packing involves O-H⋯N hydrogen bonding, forming molecular chains.
Conclusions:
- The study successfully synthesized and characterized a novel organic compound.
- The crystal structure provides insights into intermolecular forces and molecular assembly.
- This work contributes to the understanding of aldolization reaction pathways and byproduct formation.

