Description

Potassium (2-(acetyloxy)ethyl)trifluoroboranuide (CAS No. 1408168-77-3) is a highly specialized organoboron compound with the molecular formula C₄H₇BF₃KO₂. This potassium-based trifluoroborate salt features an acetyloxyethyl functional group, making it a valuable reagent in synthetic organic chemistry and catalysis. The compound is characterized by its stability, solubility in polar solvents, and compatibility with cross-coupling reactions. It is supplied as a high-purity solid, ensuring consistent performance in research and industrial applications. Ideal for Suzuki-Miyaura couplings, this reagent offers excellent selectivity and reactivity for the construction of complex molecular architectures. Proper storage under inert conditions is recommended to maintain its integrity.

Properties

• CAS Number: 1408168-77-3
• Complexity: 127
• IUPAC Name: potassium;2-acetoxyethyl(trifluoro)boranuide
• InChI: InChI=1S/C4H7BF3O2.K/c1-4(9)10-3-2-5(6,7)8;/h2-3H2,1H3;/q-1;+1
• InChI Key: BWXOSUAJRCOQMR-UHFFFAOYSA-N
• Exact Mass: 194.0128256
• Molecular Formula: C4H7BF3KO2
• Molecular Weight: 194.00
• SMILES: [B-](CCOC(=O)C)(F)(F)F.[K+]
• Topological: 26.3
• Monoisotopic Mass: 194.0128256
• Synonyms: POTASSIUM [2-(ACETYLOXY)ETHYL]TRIFLUOROBORANUIDE, Potassium (2-(acetyloxy)ethyl)trifluoroboranuide, 103-829-7, Potassium (2-acetoxyethyl)trifluoroborate, 1408168-77-3, potassium;2-acetyloxyethyl(trifluoro)boranuide, MFCD22684703, ZB0266, Potassium(2-acetoxyethyl)trifluoroborate, s11738, DB-173217, CS-0171661, EN300-7424355

Application

Potassium (2-(acetyloxy)ethyl)trifluoroboranuide is widely used as a stable boronate precursor in transition-metal-catalyzed cross-coupling reactions, particularly Suzuki-Miyaura couplings, enabling the synthesis of biaryl and heteroaryl compounds. Its acetyloxyethyl group enhances solubility and reactivity in organic transformations. Researchers also employ it in the development of pharmaceutical intermediates and agrochemicals due to its robust handling properties. Additionally, it serves as a versatile building block in materials science for functionalized polymer synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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