Description

Lithium 2-hydroxy-4,4,5,5-tetramethyl-2-(1-methyl-1H-pyrazol-4-yl)-1,3,2-dioxaborolan-2-uide (CAS: 1173889-20-7) is a highly specialized organoboron compound with the molecular formula C₁₀H₁₈BLiN₂O₃. This lithium borate derivative features a unique dioxaborolane ring system substituted with a hydroxy group and a 1-methylpyrazole moiety, making it a valuable reagent for advanced synthetic and catalytic applications. Its precise structure, lithium;4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazole, ensures high reactivity and selectivity in cross-coupling reactions, polymerizations, and as a ligand in transition metal catalysis. Supplied as a stable solid with rigorous purity standards, this compound is ideal for researchers in organometallic chemistry, materials science, and pharmaceutical development. Store under inert conditions to maintain integrity.

Properties

• CAS Number: 1173889-20-7
• Complexity: 285
• IUPAC Name: lithium;4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methyl-pyrazole
• InChI: InChI=1S/C10H18BN2O3.Li/c1-9(2)10(3,4)16-11(14,15-9)8-6-12-13(5)7-8;/h6-7,14H,1-5H3;/q-1;+1
• InChI Key: YAGHQCJCHREQHW-UHFFFAOYSA-N
• Exact Mass: 232.1570510
• Molecular Formula: C10H18BLiN2O3
• Molecular Weight: 232.0
• SMILES: [Li+].[B-]1(OC(C(O1)(C)C)(C)C)(C2=CN(N=C2)C)O
• Topological: 56.5
• Monoisotopic Mass: 232.1570510
• Synonyms: 1173889-20-7, lithium 2-hydroxy-4,4,5,5-tetramethyl-2-(1-methyl-1H-pyrazol-4-yl)-1,3,2-dioxaborolan-2-uide, Borate(1-), [2,3-dimethyl-2,3-butanediolato(2-)-kappaO2,kappaO3]hydroxy(1-methyl-1H-pyrazol-4-yl)-, lithium (1:1), (T-4)-, SCHEMBL16340211, lithium;4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazole, lithium2-hydroxy-4,4,5,5-tetramethyl-2-(1-methyl-1H-pyrazol-4-yl)-1,3,2-dioxaborolan-2-uide

Application

This lithium borate complex is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceuticals and agrochemicals. Its sterically hindered dioxaborolane structure enhances stability and reactivity in polymerization catalysts, particularly for olefin and styrene derivatives. Researchers also employ it as a ligand precursor in asymmetric catalysis and as a boron source for advanced electrolyte formulations in lithium-ion batteries.

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