structure of Potassium ((1,3-dioxoisoindolin-2-yl)methyl)trifluoroborate

Potassium ((1,3-dioxoisoindolin-2-yl)methyl)trifluoroborate

CAS No.: 1001671-72-2
M. Wt: 267.054
M. Fa: C9H6BF3KNO2
InChI Key: WDVWKFFRDCGKDS-UHFFFAOYSA-N
Appearance: Off White Solid

Names and Identifiers of 1001671-72-2

CAS Number

1001671-72-2

EC Number

834-841-7

IUPAC Name

potassium;(1,3-dioxoisoindol-2-yl)methyl-trifluoroboranuide

InChI

InChI=1S/C9H6BF3NO2.K/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16;/h1-4H,5H2;/q-1;+1

InChIKey

WDVWKFFRDCGKDS-UHFFFAOYSA-N

Canonical SMILES

[B-](CN1C(=O)C2=CC=CC=C2C1=O)(F)(F)F.[K+]

Physical and chemical properties of 1001671-72-2

Exact Mass

267.008087

Melting Point

276°C(lit.)

Molecular Formula

C9H6BF3KNO2

Molecular Weight

267.054

Safety Information of 1001671-72-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1001671-72-2

Potassium (Phthalimidomethyl)trifluoroborate has several applications in both academic research and industrial settings:

  • Organic Synthesis: Widely used as a reagent in cross-coupling reactions to synthesize complex organic molecules.
  • Drug Development: Potentially useful in synthesizing pharmaceutical compounds due to its biological activity.
  • Agricultural Chemistry:

Interaction Studies of 1001671-72-2

Studies on the interactions of potassium (Phthalimidomethyl)trifluoroborate with various substrates reveal significant insights into its reactivity profile. The compound's ability to engage in cross-coupling reactions with diverse aryl halides indicates a broad substrate scope, which is advantageous for synthesizing complex molecular architectures. Further research into its interactions could elucidate additional applications and optimize reaction conditions for specific transformations.

Biological Activity of 1001671-72-2

The biological activity of potassium (Phthalimidomethyl)trifluoroborate derives from its phthalimide component. Phthalimide derivatives have been studied for their potential as therapeutic agents, including:

  • Analgesics: Pain relief medications.
  • Anti-inflammatory agents: Compounds that reduce inflammation.
  • Anticonvulsants: Used to prevent seizures.
  • Herbicides and insecticides:

Physical sample testing spectrum (NMR) of 1001671-72-2

Physical sample testing spectrum (NMR) of 1001671-72-2