Description

Potassium trifluoro((4-fluorophenyl)methyl)boranuide (CAS No. 1494466-28-2) is a highly specialized organoboron compound with the molecular formula C₇H₆BF₄K. This potassium-based boranuide salt is a valuable reagent for researchers in the fields of organic synthesis, catalysis, and materials science. Its unique structure, featuring a trifluoroborate anion with a 4-fluorobenzyl substituent, makes it particularly useful for Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed transformations. The compound is supplied as a high-purity solid, typically as a white to off-white crystalline powder, and should be stored under inert conditions to maintain stability. With a molecular weight of 208.03 g/mol, it offers precise stoichiometric control in sensitive synthetic applications. Researchers will appreciate its consistent performance in the preparation of fluorinated organic compounds and as a precursor for advanced boron-containing materials.

Properties

• CAS Number: 1494466-28-2
• Complexity: 142
• IUPAC Name: potassium;trifluoro-[(4-fluorophenyl)methyl]boranuide
• InChI: InChI=1S/C7H6BF4.K/c9-7-3-1-6(2-4-7)5-8(10,11)12;/h1-4H,5H2;/q-1;+1
• InChI Key: ANQLQMOKLNBMOM-UHFFFAOYSA-N
• Exact Mass: 216.0135745
• Molecular Formula: C7H6BF4K
• Molecular Weight: 216.03
• SMILES: [B-](CC1=CC=C(C=C1)F)(F)(F)F.[K+]
• Monoisotopic Mass: 216.0135745
• Synonyms: 1494466-28-2, potassium trifluoro[(4-fluorophenyl)methyl]boranuide, Potassium trifluoro((4-fluorophenyl)methyl)boranuide, 858-722-4, Potassium Trifluoro(4-fluorobenzyl)borate, Potassium 4-fluorobenzyl-trifluoroborate, MFCD04112715, potassium;trifluoro-[(4-fluorophenyl)methyl]boranuide, POTASSIUM 4-FLUOROBENZYLTRIFLUOROBORATE, SCHEMBL19260323, UJC46628, ZB0259, AKOS013013501, PS-9775, PotassiumTrifluoro(4-fluorobenzyl)borate, Potassium (4-Fluorobenzyl)trifluoroborate, SY073100, A50786, EN300-124539, Potassiumtrifluoro[(4-fluorophenyl)methyl]boranuide

Application

Potassium trifluoro((4-fluorophenyl)methyl)boranuide serves as a versatile reagent in palladium-catalyzed cross-coupling reactions, particularly for introducing fluorobenzyl groups into aromatic systems. The compound finds application in pharmaceutical research for the synthesis of fluorinated drug candidates and bioactive molecules. Its stability compared to corresponding boronic acids makes it valuable for controlled release of active species in multi-step synthetic sequences. The 4-fluorobenzyl moiety incorporated by this reagent is particularly important in medicinal chemistry for modulating compound lipophilicity and metabolic stability.

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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