Description

Potassium (Cyclohexylmethyl)trifluoroboranuide (CAS No. 1346647-18-4) is a highly specialized organoboron compound with the molecular formula C₇H₁₃BF₃K. This potassium-based trifluoroborate salt is a valuable reagent in synthetic organic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions, where it serves as a stable and air-tolerant boron source. Its IUPAC name, potassium;cyclohexylmethyl(trifluoro)boranuide, reflects its precise structural configuration, featuring a cyclohexylmethyl group attached to a trifluoroborate anion balanced by a potassium cation.

This compound is supplied as a high-purity solid, rigorously tested for consistency and performance in advanced chemical synthesis. Ideal for researchers and pharmaceutical developers, it offers excellent solubility in polar organic solvents, facilitating its use in complex reaction schemes. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 1346647-18-4
• Complexity: 120
• IUPAC Name: potassium;cyclohexylmethyl(trifluoro)boranuide
• InChI: InChI=1S/C7H13BF3.K/c9-8(10,11)6-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1
• InChI Key: GOMJNZMYBNMEFN-UHFFFAOYSA-N
• Exact Mass: 204.0699466
• Molecular Formula: C7H13BF3K
• Molecular Weight: 204.08
• SMILES: [B-](CC1CCCCC1)(F)(F)F.[K+]
• Monoisotopic Mass: 204.0699466
• Synonyms: 1346647-18-4, potassium (cyclohexylmethyl)trifluoroboranuide, 819-838-0, POTASSIUM CYCLOHEXYLMETHYLTRIFLUOROBORATE, Potassium cyclohexylmethyltrilfuoroborate, Potassium (cyclohexylmethyl)trifluoroborate, MFCD11052658, potassium cyclohexylmethyl trifluoroborate, potassium;cyclohexylmethyl(trifluoro)boranuide, WDC64718, ZB0254, AKOS013014945, Potassium(cyclohexylmethyl)trifluoroborate, AS-82409, SY071797, CS-0207562, A50057, EN300-262534

Application

Potassium (Cyclohexylmethyl)trifluoroboranuide is widely employed in palladium-catalyzed cross-coupling reactions, enabling the formation of carbon-carbon bonds in medicinal chemistry and materials science. Its stability and reactivity make it a preferred choice for constructing cyclohexylmethyl-substituted aromatic systems. Researchers also utilize it in the synthesis of agrochemicals and functionalized polymers. The compound’s trifluoroborate moiety ensures compatibility with mild reaction conditions, reducing side reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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