Description

Potassium trifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate (CAS No. 1408168-76-2) is a highly specialized organoboron compound with the molecular formula C₇H₁₃BF₃KO₂. This potassium-based trifluoroborate salt features a tetrahydro-2H-pyran-2-yloxyethyl group, making it a valuable reagent for advanced synthetic chemistry applications. Its IUPAC name is potassium;trifluoro-[2-(oxan-2-yloxy)ethyl]boranuide, and it is characterized by its stability, solubility in polar organic solvents, and compatibility with transition metal-catalyzed reactions. This compound is particularly useful in cross-coupling reactions, Suzuki-Miyaura couplings, and as a precursor for boron-containing intermediates. Supplied as a high-purity solid, it is rigorously tested to meet the stringent requirements of pharmaceutical, agrochemical, and materials science research.

Properties

• CAS Number: 1408168-76-2
• Complexity: 156
• IUPAC Name: potassium;trifluoro(2-tetrahydropyran-2-yloxyethyl)boranuide
• InChI: InChI=1S/C7H13BF3O2.K/c9-8(10,11)4-6-13-7-3-1-2-5-12-7;/h7H,1-6H2;/q-1;+1
• InChI Key: TWXMFURGWHZION-UHFFFAOYSA-N
• Exact Mass: 236.0597758
• Molecular Formula: C7H13BF3KO2
• Molecular Weight: 236.08
• SMILES: [B-](CCOC1CCCCO1)(F)(F)F.[K+]
• Topological: 18.5
• Monoisotopic Mass: 236.0597758
• Synonyms: 1408168-76-2, Potassium trifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate, 815-203-7, Potassium 2-(tetrahydro-2H-pyran-2-yloxy)ethyltrifluoroborate, POTASSIUM TRIFLUORO[2-(OXAN-2-YLOXY)ETHYL]BORANUIDE, MFCD22684702, potassium;trifluoro-[2-(oxan-2-yloxy)ethyl]boranuide, SCHEMBL19128494, ZB0237, AKOS027460749, AS-71852, SY072640, DB-188868, CS-0155242, A50039, Potassium 2-(tetrahydro-1H-pyran-2-yloxy)ethyltrifluoroborate, Potassium [2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]trifluoroborate, Potassiumtrifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate

Application

Potassium trifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate is widely employed in organic synthesis as a stable boronate ester precursor for Suzuki-Miyaura cross-coupling reactions. Its protected hydroxyl group enhances solubility and reactivity in organic media, making it ideal for constructing complex molecular architectures. Researchers utilize this compound in the development of pharmaceuticals, agrochemicals, and functional materials. It also serves as a key intermediate in the synthesis of boron-containing compounds for catalytic and medicinal applications.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): 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 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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