(r,s)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3h-benzofuran-2-one

Description

The compound you described, **(r,s)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one**, is a chiral molecule with the following key features:

* **Benzofuran-2-one core:** This is the central structural component of the molecule. Benzofuran-2-one is a heterocyclic compound with a fused benzene ring and a five-membered furan ring, and the 2-one indicates a ketone functionality on the furan ring.
* **5,7-di-tert-butyl substituents:** The two tert-butyl groups are bulky, nonpolar groups attached to the benzene ring at positions 5 and 7. These groups can influence the molecule's conformation and interactions with other molecules.
* **3-hydroxy-3-trifluoromethyl:** This portion of the molecule contains a hydroxyl group (OH) and a trifluoromethyl group (CF3) attached to the same carbon (position 3) on the furan ring. The trifluoromethyl group is a very electron-withdrawing group, which can significantly affect the molecule's properties.
* **(r,s) designation:** This indicates that the molecule is a racemate, meaning it contains an equal mixture of both enantiomers (non-superimposable mirror images) of the compound.

**Importance in Research:**

While there is limited information publicly available on this specific compound, its structural features and functionality suggest potential applications in various research areas:

* **Pharmaceutical Chemistry:** The benzofuran-2-one core is known for its potential bioactivity. The presence of the trifluoromethyl group and hydroxyl group could enhance its interactions with biological targets and potentially lead to interesting pharmacological effects.
* **Organic Synthesis:** The bulky tert-butyl groups and the trifluoromethyl group could make this molecule a valuable building block in organic synthesis, allowing the construction of complex molecules with unique properties.
* **Materials Science:** The molecule's structure and properties could make it suitable for applications in materials science, for example, as a component in polymers or coatings with specific properties.

**Further research:**

To understand the specific importance of this compound, further research is necessary. This could involve:

* **Synthesis and characterization:** Developing efficient synthetic routes to produce the compound and thoroughly characterizing its physical and chemical properties.
* **Biological activity studies:** Testing the compound's potential bioactivity against various biological targets, such as enzymes, receptors, or cancer cells.
* **Computational studies:** Using computational methods to predict and understand the compound's behavior, including its structure-activity relationships, interactions with other molecules, and potential applications.

**Remember:** It's crucial to consult reliable scientific databases and publications for the most accurate and up-to-date information regarding the specific compound (r,s)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one.

(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one: a positive allosteric modulator of GABAB receptors; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]