Cas no 2648232-81-7 (potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide)

Potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide is a specialized organoboron reagent used in cross-coupling reactions, particularly Suzuki-Miyaura couplings, due to its stability and reactivity. The trifluoroborate moiety enhances shelf life and handling compared to boronic acids, while the methoxycarbonyl and methyl substituents influence electronic and steric properties, enabling selective transformations. This compound is valuable in pharmaceutical and agrochemical synthesis, where precise functionalization of aromatic systems is required. Its crystalline form ensures consistent purity, reducing variability in reaction outcomes. Compatible with a range of catalysts and conditions, it offers a reliable intermediate for constructing complex molecular architectures.
potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide structure
2648232-81-7 structure
Product Name:potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide
CAS No:2648232-81-7
MF:C9H9BF3KO2
MW:256.07107424736
CID:5680758
PubChem ID:165983463
Update Time:2025-05-19

potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide Chemical and Physical Properties

Names and Identifiers

    • potassium trifluoro[3-(methoxycarbonyl)-2-methylphenyl]boranuide
    • 2648232-81-7
    • EN300-26622003
    • Potassium trifluoro(3-(methoxycarbonyl)-2-methylphenyl)borate
    • potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide
    • Inchi: 1S/C9H9BF3O2.K/c1-6-7(9(14)15-2)4-3-5-8(6)10(11,12)13;/h3-5H,1-2H3;/q-1;+1
    • InChI Key: XQLJILBFWHLHNE-UHFFFAOYSA-N
    • SMILES: [K+].F[B-](C1C=CC=C(C(=O)OC)C=1C)(F)F

Computed Properties

  • Exact Mass: 256.0284757g/mol
  • Monoisotopic Mass: 256.0284757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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: 26.3?2

potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide Pricemore >>

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Additional information on potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide

Recent Advances in the Application of Potassium Trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide (CAS: 2648232-81-7) in Chemical Biology and Pharmaceutical Research

Potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide (CAS: 2648232-81-7) has recently emerged as a significant compound in chemical biology and pharmaceutical research due to its unique properties and versatile applications. This boronic acid derivative has shown promising potential in various fields, including drug discovery, catalysis, and materials science. Recent studies have focused on its synthesis, characterization, and applications, particularly in the development of novel therapeutic agents and catalytic systems.

The compound's structure, featuring a trifluoroborate moiety and a methoxycarbonyl group, makes it an attractive candidate for Suzuki-Miyaura cross-coupling reactions, a cornerstone in modern organic synthesis. Recent research has demonstrated its efficacy as a coupling partner in the synthesis of complex molecules, including pharmaceuticals and agrochemicals. Its stability and reactivity under mild conditions have been highlighted as key advantages over traditional boronic acid derivatives.

In the realm of drug discovery, potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide has been investigated as a potential building block for the development of protease inhibitors and kinase modulators. Its ability to form stable complexes with biological targets has been leveraged in the design of novel therapeutic agents. Recent studies have shown that this compound can enhance the bioavailability and metabolic stability of drug candidates, addressing some of the key challenges in pharmaceutical development.

Furthermore, the compound's applications in materials science have been explored, particularly in the development of advanced polymers and nanomaterials. Its incorporation into polymer matrices has been shown to improve mechanical properties and thermal stability, making it a valuable additive in high-performance materials. Recent advancements in this area have opened new avenues for the use of potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide in industrial applications.

Despite its promising potential, challenges remain in the large-scale synthesis and purification of this compound. Recent efforts have focused on optimizing synthetic routes to improve yield and purity, with significant progress reported in the literature. Additionally, the environmental impact and toxicity profile of potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide are areas of ongoing research, as these factors are critical for its adoption in pharmaceutical and industrial applications.

In conclusion, potassium trifluoro3-(methoxycarbonyl)-2-methylphenylboranuide (CAS: 2648232-81-7) represents a versatile and valuable compound in chemical biology and pharmaceutical research. Its unique properties and wide-ranging applications make it a focal point of current studies, with the potential to drive innovation in drug discovery, catalysis, and materials science. Future research will likely continue to explore its capabilities and address the remaining challenges, further solidifying its role in the field.

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