Description

Potassium Trifluoro(2-phenylcyclohexyl)borate (CAS No. 852237-95-7) is a highly specialized organoboron compound with the molecular formula C₁₂H₁₅BF₃K. This potassium salt of a fluorinated phenylcyclohexyl borate anion is designed for advanced synthetic and catalytic applications in organic chemistry. Its unique structure combines a phenyl-substituted cyclohexyl ring with a trifluoroborate moiety, offering exceptional stability and reactivity in cross-coupling reactions, Suzuki-Miyaura couplings, and other transition-metal-catalyzed transformations. The compound is supplied as a high-purity solid, rigorously characterized by ¹H NMR, ¹³C NMR, and ¹⁹F NMR spectroscopy to ensure batch-to-batch consistency. Suitable for use under inert atmospheres, this reagent is particularly valuable for constructing complex pharmaceutical intermediates and fine chemicals where precise stereo- and regiocontrol are required. Store in a cool, dry place away from moisture and oxidizing agents.

Properties

• CAS Number: 852237-95-7
• Complexity: 226
• IUPAC Name: potassium;trifluoro-(2-phenylcyclohexyl)boranuide
• InChI: InChI=1S/C12H15BF3.K/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9H2;/q-1;+1
• InChI Key: STMGNJASDXIEQG-UHFFFAOYSA-N
• Exact Mass: 266.0855966
• Molecular Formula: C12H15BF3K
• Molecular Weight: 266.15
• SMILES: [B-](C1CCCCC1C2=CC=CC=C2)(F)(F)F.[K+]
• Monoisotopic Mass: 266.0855966
• Synonyms: 852237-95-7, Potassium trifluoro(2-phenylcyclohexyl)borate, potassium trifluoro(2-phenylcyclohexyl)boranuide, SCHEMBL21981205, MFCD32200285, AS-81059, Potassiumtrifluoro(2-phenylcyclohexyl)borate, D97188, EN300-37274587, potassium trifluoro((1S,2S)-2-phenylcyclohexyl)borate

Application

This potassium trifluoroborate salt serves as a stable, air-tolerant precursor for generating reactive boronic acid derivatives in situ during palladium-catalyzed cross-coupling reactions. Its applications span pharmaceutical research where it’s used to construct biaryl systems in drug discovery programs. The compound’s enhanced stability compared to boronic acids makes it particularly useful for multistep syntheses requiring prolonged storage or harsh reaction conditions. Researchers employ it as a key building block in materials science for creating π-conjugated systems in organic electronic materials.

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