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- Molecular formula
- C23H11ClF3N3O2
- CAS Number
- 917389-32-3
- IUPAC Name
- 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
- Molecular Weight
- 477.80g/mol
- Melting Point
- (Celsius)
- Boiling Point
- (Celsius)
- Density
- 1.4900g/cm3
- Synonyms
- Rac-Efavirenz
Identification
Interesting facts
Interesting Facts about 6-Chloro-4-(2-Cyclopropylethynyl)-4-(Trifluoromethyl)-1H-3,1-Benzoxazin-2-one
This compound is a fascinating example of modern synthetic chemistry, combining unique structural and functional features that hold potential in various applications. Here are some intriguing insights:
- Structural Diversity: The presence of both a chloro group and a trifluoromethyl group enhances the compound's electronic properties and reactivity, making it a prime candidate for further derivatization in drug design.
- Cyclopropyl Moiety: The incorporation of a cyclopropyl group is noteworthy. Cyclopropyl rings can impart strain and unique steric effects, influencing biological activity and leading to compounds with enhanced pharmacological profiles.
- Benzoxazinone Framework: The benzoxazinone structure is recognized for its role in various bioactive compounds, often associated with anti-tumor and anti-inflammatory activities. This suggests potential therapeutic implications for the synthesized compound.
- Fluorine’s Influence: The trifluoromethyl group not only affects lipophilicity but also helps in modulating the compound's metabolic stability, an important consideration in drug development.
- Bioactivity Potential: Compounds with such intricate architectures have been studied for their activity against certain cancer cell lines, highlighting their importance in medicinal chemistry research.
As a result of its complex design, 6-Chloro-4-(2-Cyclopropylethynyl)-4-(Trifluoromethyl)-1H-3,1-Benzoxazin-2-one exemplifies how structural modifications can lead to enhanced functional properties. This compound is not only of academic interest but also poses promising avenues for therapeutic innovations.