Cas no 1310404-56-8 (5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID)

5-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid is a boronic acid derivative featuring a pyridine core substituted with a hydroxyisopropyl group at the 5-position and a boronic acid moiety at the 3-position. This compound is particularly valuable in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity, enabling efficient formation of carbon-carbon bonds in synthetic organic chemistry. The hydroxyisopropyl group enhances solubility in polar solvents, facilitating handling in aqueous or mixed-phase systems. Its structural features make it a versatile intermediate for pharmaceutical and materials science applications, particularly in the synthesis of complex heterocycles and functionalized pyridine derivatives. The boronic acid group ensures compatibility with a wide range of coupling partners.
5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID structure
1310404-56-8 structure
Product Name:5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID
CAS No:1310404-56-8
MF:C8H12BNO3
MW:180.996782302856
MDL:MFCD09992911
CID:1035457
PubChem ID:55267533
Update Time:2025-10-28

5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID Chemical and Physical Properties

Names and Identifiers

    • (5-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronic acid
    • 5-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid
    • 5-(2-Hydroxypropan-2-yl)pyridin-3-ylboronicacid
    • CS-0337914
    • F31060
    • 1310404-56-8
    • SCHEMBL2560130
    • Boronic acid, B-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-
    • AKOS006313526
    • DTXSID50717196
    • DB-186803
    • (5-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronicacid
    • B-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]boronic acid
    • [5-(2-hydroxypropan-2-yl)pyridin-3-yl]boronic acid
    • 5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID
    • MDL: MFCD09992911
    • Inchi: 1S/C8H12BNO3/c1-8(2,11)6-3-7(9(12)13)5-10-4-6/h3-5,11-13H,1-2H3
    • InChI Key: GRDBBBJVJPPVCL-UHFFFAOYSA-N
    • SMILES: OC(C)(C)C1C=NC=C(B(O)O)C=1

Computed Properties

  • Exact Mass: 181.09100
  • Monoisotopic Mass: 181.0910234g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • 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

Experimental Properties

  • PSA: 73.58000
  • LogP: -1.01120

5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID Pricemore >>

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Additional information on 5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID

Introduction to 5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID (CAS No. 1310404-56-8)

5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID, identified by its CAS number 1310404-56-8, is a compound of significant interest in the field of chemical biology and pharmaceutical research. This boronic acid derivative features a pyridine core substituted with a 2-hydroxypropyl group, making it a versatile intermediate in the synthesis of various bioactive molecules. The unique structural properties of this compound have positioned it as a valuable tool in the development of innovative therapeutic agents.

The< strong>pyridine moiety is a well-documented pharmacophore in medicinal chemistry, known for its ability to interact with biological targets such as enzymes and receptors. The presence of the< strong>2-hydroxypropyl group introduces hydrophilicity and potential for further functionalization, enhancing its utility in drug design. Boronic acids, on the other hand, are renowned for their role in protease inhibition and have been extensively studied for their applications in targeted therapy.

In recent years, significant advancements have been made in understanding the role of boronic acids in medicinal chemistry. Notably, the development of protease inhibitors has seen boronic acid derivatives play a pivotal role due to their high specificity and affinity. The< strong>5-(2-hydroxypropan-2-yl)pyridin-3-ylboronic acid structure combines these properties, offering a promising scaffold for the design of next-generation therapeutics.

One of the most compelling aspects of this compound is its potential application in the field of kinase inhibition. Kinases are enzymes that play crucial roles in cell signaling pathways, and their dysregulation is associated with numerous diseases, including cancer. Boronic acid-containing inhibitors have shown remarkable efficacy in targeting these kinases by binding to their active sites. The< strong>5-(2-hydroxypropan-2-yl)pyridin-3-ylboronic acid derivative has been investigated for its ability to modulate kinase activity, with preliminary studies suggesting promising results.

The synthesis of< strong>5-(2-hydroxypropan-2-yl)pyridin-3-ylboronic acid involves multi-step organic reactions that highlight the compound's synthetic complexity. The introduction of the boronic acid functionality requires careful control to ensure high yield and purity. Advanced synthetic methodologies, including transition metal-catalyzed cross-coupling reactions, have been employed to achieve this goal. These techniques not only enhance efficiency but also allow for the introduction of additional functional groups, expanding the compound's utility.

The biological activity of< strong>5-(2-hydroxypropan-2-yl)pyridin-3-ylboronic acid has been extensively studied in vitro. Researchers have explored its interactions with various enzymes and receptors, uncovering potential therapeutic applications. For instance, studies have demonstrated its inhibitory effects on certain proteases and kinases, suggesting its use in treating inflammatory diseases and cancers. Additionally, the compound's ability to cross the blood-brain barrier has been investigated, opening up possibilities for neurotherapeutic applications.

The pharmacokinetic properties of this compound are also of great interest. Understanding how< strong>5-(2-hydroxypropan-2-yl)pyridin-3-ylboronic acid is absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing its therapeutic potential. Preclinical studies have provided valuable insights into these parameters, helping researchers design better drug formulations and dosing regimens. These studies also highlight the importance of considering pharmacokinetic interactions when developing combination therapies.

In conclusion, 5-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YLBORONIC ACID (CAS No. 1310404-56-8) represents a significant advancement in chemical biology and pharmaceutical research. Its unique structure and versatile functionalization capabilities make it a valuable intermediate in drug development. With ongoing research exploring its potential applications in kinase inhibition and other therapeutic areas, this compound is poised to play a crucial role in future medical innovations.

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