CAS 1248585-73-0

1-(1,1-Dimethylethyl) 2-borono-6-ethyl-5-fluoro-1H-indole-1-carboxylate

Description:

1-(1,1-Dimethylethyl) 2-borono-6-ethyl-5-fluoro-1H-indole-1-carboxylate is a chemical compound that belongs to the indole family, characterized by its complex structure featuring a boron atom, a fluorine atom, and various alkyl substituents. The presence of the boron group suggests potential applications in medicinal chemistry, particularly in drug design and development, as boron-containing compounds often exhibit unique reactivity and biological activity. The fluorine atom can enhance the compound's lipophilicity and metabolic stability, making it a valuable feature in pharmaceutical applications. The tert-butyl group (1,1-dimethylethyl) contributes to steric hindrance, which may influence the compound's interaction with biological targets. Additionally, the ethyl group and the carboxylate moiety can affect solubility and reactivity. Overall, this compound's unique combination of functional groups and structural features positions it as a potentially interesting candidate for further research in organic synthesis and medicinal chemistry.

Formula: C₁₅H₁₉BFNO₄

InChI: InChI=1S/C15H19BFNO4/c1-5-9-7-12-10(6-11(9)17)8-13(16(20)21)18(12)14(19)22-15(2,3)4/h6-8,20-21H,5H2,1-4H3

InChI key: InChIKey=SLSOKQMFILENJM-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(F)=C(CC)C2

Synonyms:

• 1-(tert-Butoxycarbonyl)-6-ethyl-5-fluoro-1H-indol-2-ylboronic acid
• 1H-Indole-1-carboxylic acid, 2-borono-6-ethyl-5-fluoro-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 2-borono-6-ethyl-5-fluoro-1H-indole-1-carboxylate