Description

Potassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuide (CAS No. 1027642-26-7) is a highly specialized organoboron compound with the molecular formula C₉H₁₁BF₃KO₂. This potassium-based boranuide derivative features a trifluoro-substituted borate core coupled with a (4-methoxyphenyl)methoxymethyl functional group, making it a valuable reagent in advanced synthetic and catalytic applications. Its precise molecular structure ensures high reactivity and selectivity, particularly in cross-coupling reactions and as a precursor in organometallic chemistry. The compound is supplied as a high-purity solid, rigorously characterized by ¹H NMR, ¹³C NMR, and FTIR spectroscopy to guarantee consistency for research and industrial use. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1027642-26-7
• Complexity: 184
• IUPAC Name: potassium;trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide
• InChI: InChI=1S/C9H11BF3O2.K/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
• InChI Key: HWHMOMQODHUMRW-UHFFFAOYSA-N
• Exact Mass: 258.0441257
• Molecular Formula: C9H11BF3KO2
• Molecular Weight: 258.09
• SMILES: [B-](COCC1=CC=C(C=C1)OC)(F)(F)F.[K+]
• Topological: 18.5
• Monoisotopic Mass: 258.0441257
• Synonyms: POTASSIUM TRIFLUORO({[(4-METHOXYPHENYL)METHOXY]METHYL})BORANUIDE, Potassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuide, 802-414-4, 1027642-26-7, POTASSIUM (4-METHOXY)BENZYLOXYMETHYLTRIFLUOROBORATE, Potassium trifluoro(((4-methoxybenzyl)oxy)methyl)borate, Borate(1-), trifluoro[[(4-methoxyphenyl)methoxy]methyl]-, potassium (1:1), (T-4)-, MFCD11505925, potassium;trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide, Potassium [(4-Methoxybenzyloxy)methyl]trifluoroborate, Potassium 4′-methoxybenzyloxymethyltrifluoroborate, Potassium Trifluoro[[(4-methoxybenzyl)oxy]methyl]borate, MLS002705548, Potassium?(4-Methoxybenzyloxy)methyl-trifluoroborate, CHEMBL2131378, SCHEMBL22120164, DTXSID00677155, AKOS013015599, AS-79969, SMR001572177, SY068100, DB-335445, CS-0159034, H12029, EN300-7358944, Potassiumtrifluoro(((4-methoxybenzyl)oxy)methyl)borate, Potassium [(4-methoxybenzyloxy)methyl]trifluoroborate, 97%, Potassium trifluoro{[(4-methoxyphenyl)methoxy]methyl}borate(1-)

Application

Potassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuide is primarily employed as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceutical and materials science research. Its electron-rich borate structure enhances reactivity in palladium-catalyzed transformations. The compound also serves as a versatile building block for modifying aromatic systems in agrochemical and polymer chemistry. Researchers utilize it to develop novel boron-containing ligands for asymmetric catalysis.

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. 2 (100%)
• STOT SE 3 (100%)

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