Cas no 1451391-59-5 (Lithium trihydroxy(2-methylpyridin-4-yl)borate)

Lithium trihydroxy(2-methylpyridin-4-yl)borate is an organoboron compound featuring a borate anion coordinated with a 2-methylpyridin-4-yl group and three hydroxyl ligands, stabilized by a lithium cation. This compound is notable for its unique structural properties, combining the reactivity of borate with the aromaticity of the pyridine moiety. It serves as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions and as a precursor for boron-containing materials. The lithium counterion enhances solubility in polar aprotic solvents, facilitating its use in homogeneous catalytic systems. Its stability and tunable reactivity make it valuable for applications in pharmaceuticals, agrochemicals, and advanced material science.
Lithium trihydroxy(2-methylpyridin-4-yl)borate structure
1451391-59-5 structure
Product Name:Lithium trihydroxy(2-methylpyridin-4-yl)borate
CAS No:1451391-59-5
MF:C6H9BLiNO3
MW:160.892561674118
CID:2093212
PubChem ID:75464919
Update Time:2025-05-05

Lithium trihydroxy(2-methylpyridin-4-yl)borate Chemical and Physical Properties

Names and Identifiers

    • Lithium trihydroxy(2-methylpyridin-4-yl)borate
    • BIC39159
    • LITHIUM(1+) TRIHYDROXY(2-METHYLPYRIDIN-4-YL)BORANUIDE
    • Lithium trihydroxy-(2-methyl-4-pyridyl)boranuide
    • CS-0175040
    • MFCD23704688
    • lithium;trihydroxy-(2-methylpyridin-4-yl)boranuide
    • lithiumtrihydroxy(2-methylpyridin-4-yl)borate
    • CS2826
    • SB53914
    • AKOS025213439
    • 1451391-59-5
    • MDL: MFCD23704688
    • Inchi: 1S/C6H9BNO3.Li/c1-5-4-6(2-3-8-5)7(9,10)11;/h2-4,9-11H,1H3;/q-1;+1
    • InChI Key: BIAQKNKLRDITDC-UHFFFAOYSA-N
    • SMILES: O[B-](C1C=CN=C(C)C=1)(O)O.[Li+]

Computed Properties

  • Exact Mass: 161.0835517g/mol
  • Monoisotopic Mass: 161.0835517g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 141
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 73.6?2

Lithium trihydroxy(2-methylpyridin-4-yl)borate Pricemore >>

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Additional information on Lithium trihydroxy(2-methylpyridin-4-yl)borate

Introduction to Lithium trihydroxy(2-methylpyridin-4-yl)borate (CAS No. 1451391-59-5)

Lithium trihydroxy(2-methylpyridin-4-yl)borate, a compound with the chemical formula C7H12BNO3Li, is a specialized borate derivative that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, identified by its unique CAS number 1451391-59-5, is particularly valued for its potential applications in the development of novel therapeutic agents and advanced materials. The intricate structure of this molecule, featuring a lithium center coordinated to hydroxyl and pyridine-based ligands, makes it a subject of extensive research and interest.

The synthesis and characterization of Lithium trihydroxy(2-methylpyridin-4-yl)borate have been the focus of numerous studies aimed at understanding its reactivity and utility. Borate compounds, in general, are known for their stability and versatility in various chemical transformations. The presence of the lithium ion in this compound enhances its solubility in polar solvents, making it an attractive candidate for solution-based reactions and catalytic processes. Furthermore, the 2-methylpyridin-4-yl moiety introduces a tunable electronic and steric environment, which can be exploited to modulate the compound's properties for specific applications.

Recent advancements in the field of medicinal chemistry have highlighted the importance of borate derivatives in drug design. Specifically, lithium-containing borates have shown promise as intermediates in the synthesis of small-molecule drugs that target neurological disorders. The ability of lithium ions to interact with biological systems has been well-documented, particularly in the context of mood stabilization and neuroprotection. The unique coordination environment provided by Lithium trihydroxy(2-methylpyridin-4-yl)borate may offer new insights into how lithium ions exert their therapeutic effects.

In materials science, this compound has been explored for its potential as a precursor or additive in the fabrication of advanced materials. Borate-based materials are known for their thermal stability and electrical insulating properties, making them suitable for use in high-performance electronic devices. The incorporation of lithium into these materials can further enhance their functionality by improving ionic conductivity and catalytic activity. For instance, researchers have investigated the use of Lithium trihydroxy(2-methylpyridin-4-yl)borate as a component in solid-state electrolytes for lithium-ion batteries, where its ability to form stable complexes with lithium ions could contribute to improved battery performance.

The structural features of Lithium trihydroxy(2-methylpyridin-4-yl)borate also make it a valuable tool for studying coordination chemistry and ligand design. The hydroxyl groups provide sites for hydrogen bonding interactions, while the pyridine ring offers opportunities for π-stacking and metal-ligand coordination. These interactions are crucial for understanding how this compound behaves in different chemical environments and how it can be tailored for specific applications. Computational studies have played a significant role in predicting the structure-property relationships of this compound, providing valuable insights into its behavior at the molecular level.

The pharmaceutical industry has shown particular interest in borate derivatives due to their potential as bioactive molecules. The ability of these compounds to interact with biological targets such as enzymes and receptors has been leveraged to develop drugs with targeted therapeutic effects. For example, certain borate esters have been investigated as antiviral agents due to their ability to inhibit viral polymerases. While Lithium trihydroxy(2-methylpyridin-4-yl)borate itself may not be directly used as a drug, its structural motifs could inspire the design of novel bioactive molecules with enhanced efficacy and selectivity.

In conclusion, Lithium trihydroxy(2-methylpyridin-4-yl)borate (CAS No. 1451391-59-5) represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique structural features and chemical properties make it a valuable asset in both pharmaceutical research and materials science. As ongoing studies continue to uncover new ways to utilize this compound, its importance is likely to grow further, driving innovation in drug development and material engineering.

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