CAS 1073468-33-3

Borate(1-), [6-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-2-yl]trifluoro-, potassium (1:1), (T-4)-

Description:

The chemical substance known as Borate(1-), specifically 6-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-2-yl]trifluoro-, potassium (1:1), (T-4)-, with the CAS number 1073468-33-3, is characterized by its complex molecular structure that includes an indole moiety, a chloro substituent, and a trifluoromethyl group. This compound features a borate anion, which contributes to its unique reactivity and potential applications in various chemical processes. The presence of the potassium cation indicates its ionic nature, which may influence its solubility and stability in different solvents. The dimethylethoxycarbonyl group suggests that it may have protective or modifying roles in organic synthesis. Overall, this compound is of interest in fields such as medicinal chemistry and materials science, where its specific functional groups can be leveraged for targeted applications, including drug development and catalysis. Its properties, such as solubility, reactivity, and stability, would be influenced by the overall molecular architecture and the presence of electronegative atoms like chlorine and fluorine.

Formula: C₁₃H₁₃BClF₃KNO₂

InChI: InChI=1S/C13H13BClF3NO2.K/c1-13(2,3)21-12(20)19-10-7-9(15)5-4-8(10)6-11(19)14(16,17)18;/h4-7H,1-3H3;/q-1;+1

InChI key: InChIKey=FZRLDAMXBGHRRY-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=[C-]1[B+3]([F-])([F-])[F-])=CC=C(Cl)C2.[K+]

Synonyms:

• Borate(1-), [6-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-2-yl]trifluoro-, potassium (1:1), (T-4)-
• Potassium (1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl)trifluoroborate
• Potassium 1-Boc-6-chloroindole-2-trifluoroborate