structure of Potassium benzothiophene-3-trifluoroborate

Potassium benzothiophene-3-trifluoroborate

CAS No.: 1000160-73-5
M. Wt: 240.09500
M. Fa: C8H5BF3KS
InChI Key: CMEOIXLPVLKJDC-UHFFFAOYSA-N

Names and Identifiers of 1000160-73-5

CAS Number

1000160-73-5

IUPAC Name

potassium;1-benzothiophen-3-yl(trifluoro)boranuide

InChI

InChI=1S/C8H5BF3S.K/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;/h1-5H;/q-1;+1

InChIKey

CMEOIXLPVLKJDC-UHFFFAOYSA-N

Canonical SMILES

[B-](C1=CSC2=CC=CC=C12)(F)(F)F.[K+]

Physical and chemical properties of 1000160-73-5

Exact Mass

239.97900

LogP

2.95570

Molecular Formula

C8H5BF3KS

Molecular Weight

240.09500

PSA

28.24000

Applications of 1000160-73-5

Potassium benzothiophene-3-trifluoroborate finds extensive use in organic synthesis, particularly in:

  • Cross-Coupling Reactions: It serves as a key reagent in forming complex organic molecules.
  • Material Science: Its derivatives are explored for their electronic properties in organic semiconductors.
  • Pharmaceutical Chemistry: Potential applications in drug development due to its biological activity.

Interaction Studies of 1000160-73-5

Interaction studies focus on how potassium benzothiophene-3-trifluoroborate interacts with various substrates and catalysts. These studies are crucial for optimizing reaction conditions in synthetic methodologies. Additionally, research into its interactions with biological systems may provide insights into its therapeutic potential and safety profile.

Retrosynthesis analysis of 1000160-73-5

  • Route#1

    Cas:113893-08-6
    Cas:1000160-73-5