804711

Potassium 4-fluorobenzoyltrifluoroborate

• Empirical Formula (Hill Notation): C₇H₄BF₄KO
• CAS Number: 1590389-14-2
• Molecular Weight: 230.01
• UNSPSC Code: 12352103
• PubChem Substance ID: 329768891
• NACRES: NA.22

Properties

• form: powder
• SMILES string: O=C(B(F)(F)F)C1=CC=C(F)C=C1.[K]
• InChI: 1S/C7H4BF4O.K.H/c9-6-3-1-5(2-4-6)7(13)8(10,11)12;;/h1-4H;;
• InChI key: BDIWURUUSCKZDU-UHFFFAOYSA-N

Description

General description

Potassium 4-fluorobenzoyltrifluoroborate belongs to the potassium acyltrifluoroborate (KAT) group. It can be synthesized from 1-(methoxy(4-fluorophenyl)methyl)-1H-benzotriazole.

Application

Potassium 4-fluorobenzoyltrifluoroborate may be used in the synthesis of MIDA (N-methyliminodiacetic acid) 4-fluorobenzoylboronate. It may also be used in the synthesis of potassium O-(4-benzoyltrifluoroborate)-O′-methylpolyethylene glycols of varying molecular weights.

Potassium Acyltrifluroborates (KAT′s) are bench, air, and moisture stable reagents for rapid, chemoselective amide bond formations with hydroxylamines. These amide bond forming reactions proceed under aqueous conditions, without the need for coupling reagents or protecting groups. This product was introduced in collaboration with the Bode Research Group.

Other Notes

Rapid Ligations with Equimolar Reactants in Water with the Potassium Acyltrifluoroborate (KAT) Amide Formation
Synthesis of Chemically and Configurationally Stable Monofluoro Acylboronates: Effect of Ligand Structure on their Formation, Properties, and Reactivities
Amide-Forming Ligation of Acyltrifluoroborates and Hydroxylamines in Water

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable