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Structure of (+/-)-(2S,1'S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexanone, C14H1802
E Nakamura1, I Kuwajima, P G Williard
1Department of Chemistry, Tokyo Institute of Technology, Japan.
Summary
This study details the synthesis and crystal structure of a novel titanium enolate compound. The research provides insights into organometallic chemistry and reaction mechanisms involving titanium.
Area of Science:
- Organometallic Chemistry
- Crystallography
- Organic Synthesis
Background:
- Titanium enolates are versatile intermediates in organic synthesis.
- Understanding their reactivity is crucial for developing new synthetic methodologies.
Purpose of the Study:
- To synthesize and characterize a novel titanium enolate compound.
- To elucidate the crystal structure of the synthesized compound.
Main Methods:
- The compound was synthesized via the reaction of trichlorotitanium-delta 1(2)-enolate of 2-methylcyclohexanone with benzaldehyde.
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
Main Results:
- The crystal structure was determined in the monoclinic space group P2(1)/n.
- Unit cell parameters: a = 10.966 (4), b = 7.170 (3), c = 15.976 (4) A, beta = 93.14 (2) degrees.
- The final R value was 0.057 for 1212 unique observed reflections.
Conclusions:
- The successful synthesis and structural characterization of the titanium enolate were achieved.
- The results contribute to the understanding of titanium-mediated organic transformations.