(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one
[CAS# 1190363-46-2]

Identification

• Classification: Pharmaceutical intermediate >> API intermediate
• Name: (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one
• Molecular Formula: C₂₅H₃₃F₂NO₂Si
• Molecular Weight: 445.62
• CAS Registry Number: 1190363-46-2
• SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CC[C@H](C(=O)C2=C1N=CC=C2)C3=C(C(=CC=C3)F)F

Properties

• Solubility: Insuluble 1.3e^-3 g/L (20 °C)
• Density: 1.10±0.1 g/cm³ (20 °C 760 torr), Calc.^*
• Index of Refraction: 1.522, Calc.^*
• Boiling Point: 477.5±45.0 °C (760 mmHg), Calc.^*
• Flash Point: 242.6±28.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

Discovery and Applications

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tri(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one is a complex organic compound with a unique structure combining a difluorophenyl group, a tetrahydrocycloheptapyridine core, and a silyl ether group. This compound has attracted much attention due to its unique chemical properties and potential applications.

This compound was synthesized as part of the search for novel heterocyclic compounds with potential biological and chemical applications. The development of such compounds involves modifying known structures to introduce new functionalities or improve their properties. The specific combination of the difluorophenyl group, the cycloheptapyridine ring system, and the silyl ether group resulted in molecules with unique properties that attracted further investigation.

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tri(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one has been explored as a potential drug due to its unique structure. The difluorophenyl and silyl groups may produce specific interactions with biological targets, potentially leading to the development of new drugs with novel mechanisms of action. Researchers are investigating its efficacy in treating a variety of diseases, including neurological and cardiovascular diseases.

In organic synthesis, this compound is a valuable intermediate for making complex molecules. Its unique structure enables chemists to explore new synthetic routes and develop novel compounds with desirable properties. It is used to synthesize specialty chemicals and materials.

The silyl group and cycloheptylpyridine core of this compound have potential applications in materials science for the development of new materials with specific electronic or optical properties, aiding in the advancement of polymers, coatings, or other high-tech materials.

In chemical research, this compound is studied for its reactivity and potential as a building block for various chemical transformations. Its complex structure provides insights into the behavior of similar compounds, aiding in the development of new chemical approaches.

References

2012. Synthesis of the CGRP Receptor Antagonist BMS-846372. Synfacts.
DOI: 10.1055/s-0032-1317565