Cas no 1393822-91-7 (Lithium (5-cyanopyridin-2-yl)trihydroxyborate)

Lithium (5-cyanopyridin-2-yl)trihydroxyborate is an organoboron compound featuring a cyano-substituted pyridyl group coordinated to a lithium borate moiety. This compound is of interest due to its potential utility as an electrolyte additive or intermediate in lithium-ion battery systems, where its borate structure may enhance ionic conductivity and electrochemical stability. The presence of the cyano group offers additional reactivity for further functionalization, making it valuable in synthetic chemistry applications. Its well-defined molecular structure allows for precise tuning of properties, while the lithium component ensures compatibility with battery-grade materials. The compound's stability and solubility in polar aprotic solvents further broaden its applicability in energy storage and advanced material synthesis.
Lithium (5-cyanopyridin-2-yl)trihydroxyborate structure
1393822-91-7 structure
Product Name:Lithium (5-cyanopyridin-2-yl)trihydroxyborate
CAS No:1393822-91-7
MF:C6H6BLiN2O3
MW:171.875441074371
CID:1268559
PubChem ID:56973070
Update Time:2025-10-31

Lithium (5-cyanopyridin-2-yl)trihydroxyborate Chemical and Physical Properties

Names and Identifiers

    • lithium (5-cyano-2-pyridyl)-trihydroxy-boranuide
    • Lithium (5-cyanopyridin-2-yl)trihydroxyborate
    • LITHIUM(5-CYANOPYRIDIN-2-YL)TRIHYDROXYBORATE
    • 1393822-91-7
    • DB-101155
    • AKOS015968502
    • lithium;(5-cyanopyridin-2-yl)-trihydroxyboranuide
    • A886028
    • C6H6BLiN2O3
    • Borate(1-), (5-cyano-2-pyridinyl)trihydroxy-, lithium (1:1), (T-4)-
    • Inchi: 1S/C6H6BN2O3.Li/c8-3-5-1-2-6(9-4-5)7(10,11)12;/h1-2,4,10-12H;/q-1;+1
    • InChI Key: BQFQSGZYIICSCT-UHFFFAOYSA-N
    • SMILES: O[B-](C1C=CC(C#N)=CN=1)(O)O.[Li+]

Computed Properties

  • Exact Mass: 172.06300
  • Monoisotopic Mass: 172.0631507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 212
  • 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: 97.4?2

Experimental Properties

  • PSA: 97.37000
  • LogP: -1.92392

Lithium (5-cyanopyridin-2-yl)trihydroxyborate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Lithium (5-cyanopyridin-2-yl)trihydroxyborate Pricemore >>

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Additional information on Lithium (5-cyanopyridin-2-yl)trihydroxyborate

Research Briefing on Lithium (5-cyanopyridin-2-yl)trihydroxyborate (CAS: 1393822-91-7) in Chemical Biology and Pharmaceutical Applications

Lithium (5-cyanopyridin-2-yl)trihydroxyborate (CAS: 1393822-91-7) has emerged as a compound of significant interest in the field of chemical biology and pharmaceutical research. This borate derivative, characterized by its unique cyano-pyridinyl structure, has shown promising potential in various applications, including medicinal chemistry, drug delivery, and catalysis. Recent studies have focused on elucidating its molecular interactions, stability, and biological activity, positioning it as a candidate for further development in therapeutic contexts.

One of the key areas of investigation involves the compound's role as a boron-containing agent, which is of particular interest due to boron's ability to form stable covalent bonds with biological targets. Researchers have explored its utility in boron neutron capture therapy (BNCT), a targeted radiation treatment for cancers. Preliminary data suggest that Lithium (5-cyanopyridin-2-yl)trihydroxyborate exhibits favorable pharmacokinetic properties, including enhanced solubility and tissue penetration, which are critical for effective BNCT agents.

In addition to its therapeutic potential, recent synthetic studies have highlighted the compound's versatility as a building block in organic synthesis. Its cyano and borate functional groups allow for diverse chemical modifications, enabling the creation of novel derivatives with tailored properties. For instance, a 2023 study demonstrated its efficacy as a catalyst in cross-coupling reactions, underscoring its utility in constructing complex molecular architectures relevant to drug discovery.

Further research has also delved into the compound's stability under physiological conditions. A notable finding from a recent pharmacokinetic study revealed that Lithium (5-cyanopyridin-2-yl)trihydroxyborate maintains structural integrity in plasma, with a half-life conducive to therapeutic applications. This stability, combined with its low toxicity profile in preclinical models, positions it as a viable candidate for further clinical evaluation.

Despite these advancements, challenges remain in optimizing the compound's delivery and targeting efficiency. Ongoing studies are investigating nanocarrier systems to enhance its bioavailability and reduce off-target effects. For example, a 2024 publication reported the successful encapsulation of Lithium (5-cyanopyridin-2-yl)trihydroxyborate in polymeric nanoparticles, achieving sustained release and improved tumor accumulation in murine models.

In conclusion, Lithium (5-cyanopyridin-2-yl)trihydroxyborate represents a multifaceted compound with significant potential in both therapeutic and synthetic applications. Continued research efforts are expected to further elucidate its mechanisms of action and expand its utility in the pharmaceutical sciences. Future directions may include exploring its interactions with specific biological targets and developing scalable synthetic routes for industrial production.

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