Description

Potassium trans-2-methylcyclohexyltrifluoroborate (CAS: 1041642-14-1) is a highly specialized organoboron compound with the molecular formula C₇H₁₃BF₃K. This reagent is a stable, crystalline potassium trifluoroborate salt, designed for use in advanced organic synthesis and cross-coupling reactions, particularly in Suzuki-Miyaura couplings. Its trans-2-methylcyclohexyl moiety provides steric and electronic tuning, making it valuable for constructing complex molecular architectures. The compound is rigorously characterized for purity (typically ≥95% by NMR) and is available in research quantities with detailed analytical data (NMR, MS, HPLC). Ideal for pharmaceutical, agrochemical, and materials science applications where precision and reproducibility are critical.

Properties

• CAS Number: 1041642-14-1
• Complexity: 137
• IUPAC Name: potassium;trifluoro-[(1R,2R)-2-methylcyclohexyl]boranuide
• InChI: InChI=1S/C7H13BF3.K/c1-6-4-2-3-5-7(6)8(9,10)11;/h6-7H,2-5H2,1H3;/q-1;+1/t6-,7-;/m1./s1
• InChI Key: RAVXMQPYEBSTJX-ZJLYAJKPSA-N
• Exact Mass: 204.0699466
• Molecular Formula: C7H13BF3K
• Molecular Weight: 204.08
• SMILES: [B-]([C@@H]1CCCC[C@H]1C)(F)(F)F.[K+]
• Monoisotopic Mass: 204.0699466
• Synonyms: 1041642-14-1, POTASSIUM TRANS-2-METHYLCYCLOHEXYLTRIFLUOROBORATE, Potassium trifluoro(trans-2-methylcyclohexyl)borate, potassium;trifluoro-[(1R,2R)-2-methylcyclohexyl]boranuide, MFCD28955335, DTXSID90678459, CS-0046251, A11747, Potassiumtrifluoro(trans-2-methylcyclohexyl)borate, Potassium trifluoro[(1R,2R)-2-methylcyclohexyl]borate(1-)

Potassium trans-2-methylcyclohexyltrifluoroborate is a key building block in palladium-catalyzed cross-coupling reactions, enabling the synthesis of sterically hindered biaryl and alkyl-aryl compounds. Its stability under aqueous conditions makes it suitable for iterative coupling strategies in medicinal chemistry. Researchers leverage its chiral cyclohexyl group for asymmetric synthesis and ligand design. Compatible with air-sensitive protocols, it is often used in tandem with Pd(dppf)Cl₂ or SPhos-based catalysts.

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