Description

Potassium cyclopentyltrifluoroborate (CAS: 1040745-70-7) is a highly specialized organoboron reagent with the molecular formula C₅H₉BF₃K. This crystalline compound is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stability and reactivity as a boronic acid surrogate. With a purity of 95%, it serves as a critical intermediate for pharmaceutical, agrochemical, and materials science research. Its trifluoroborate moiety enhances solubility and handling compared to traditional boronic acids, making it ideal for controlled reactions under mild conditions. Packaged under inert conditions to ensure stability, this reagent is a must-have for researchers seeking efficient and selective C-C bond formation.

Properties

• CAS Number: 1040745-70-7
• Complexity: 97.6
• IUPAC Name: potassium;cyclopentyl(trifluoro)boranuide
• InChI: InChI=1S/C5H9BF3.K/c7-6(8,9)5-3-1-2-4-5;/h5H,1-4H2;/q-1;+1
• InChI Key: MUVSOIJDVXEYST-UHFFFAOYSA-N
• Exact Mass: 176.0386464
• Molecular Formula: C5H9BF3K
• Molecular Weight: 176.03
• SMILES: [B-](C1CCCC1)(F)(F)F.[K+]
• Monoisotopic Mass: 176.0386464
• Synonyms: Potassium cyclopentyltrifluoroborate, 813-836-3, 1040745-70-7, potassium cyclopentyltrifluoroboranuide, MFCD04112712, potassium;cyclopentyl(trifluoro)boranuide, C5H9BF3K, SCHEMBL2172047, DTXSID30635703, Potassiumcyclopentyltrifluoroborate, MUVSOIJDVXEYST-UHFFFAOYSA-N, AKOS013013500, CS-W006425, FP83314, Potassium cyclopentyl(trifluoro)boranuide, AS-82240, Potassium cyclopentyltrifluoroborate, 95%, SY069859, Potassium cyclopentyl(trifluoro)borate(1-), DB-371693, A50056, EN300-136911

Potassium cyclopentyltrifluoroborate is primarily employed in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds in complex organic molecules. Its stability and moisture tolerance make it advantageous for late-stage functionalization in drug discovery. Researchers also use it in the synthesis of cyclopentyl-containing compounds for agrochemical and material science applications. The trifluoroborate group offers improved shelf life and reactivity over boronic acids.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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