Cas no 2121515-25-9 (Methyl 2,5-Difluoro-4-isopropoxybenzoate)

Methyl 2,5-Difluoro-4-isopropoxybenzoate is a fluorinated aromatic ester with a molecular formula of C11H12F2O3. This compound is characterized by the presence of two fluorine atoms at the 2- and 5-positions and an isopropoxy group at the 4-position of the benzoate ring. The fluorine substituents enhance its electron-withdrawing properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The methyl ester group provides reactivity for further functionalization, while the isopropoxy moiety contributes to steric and electronic modulation. Its well-defined structure and stability under standard conditions make it suitable for use in cross-coupling reactions and as a building block for advanced organic frameworks.
Methyl 2,5-Difluoro-4-isopropoxybenzoate structure
2121515-25-9 structure
Product Name:Methyl 2,5-Difluoro-4-isopropoxybenzoate
CAS No:2121515-25-9
MF:C11H12F2O3
MW:230.207990646362
CID:5020174
PubChem ID:134715894
Update Time:2025-05-21

Methyl 2,5-Difluoro-4-isopropoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,5-Difluoro-4-isopropoxybenzoate
    • Inchi: 1S/C11H12F2O3/c1-6(2)16-10-5-8(12)7(4-9(10)13)11(14)15-3/h4-6H,1-3H3
    • InChI Key: NGHXQJDSZXOSJR-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C(=CC=1OC(C)C)F

Computed Properties

  • Exact Mass: 230.07545056g/mol
  • Monoisotopic Mass: 230.07545056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 245
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 35.5

Methyl 2,5-Difluoro-4-isopropoxybenzoate Pricemore >>

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Additional information on Methyl 2,5-Difluoro-4-isopropoxybenzoate

Methyl 2,5-Difluoro-4-isopropoxybenzoate: A Comprehensive Overview

Methyl 2,5-Difluoro-4-isopropoxybenzoate, also known by its CAS number 2121515-25-9, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzoate ester functional group and substituents that confer specific chemical properties. Recent advancements in synthetic methodologies and its applications have further highlighted its potential in diverse industries.

The synthesis of Methyl 2,5-Difluoro-4-isopropoxybenzoate involves a multi-step process that typically begins with the preparation of the corresponding benzoic acid derivative. Researchers have explored various routes to optimize the yield and purity of this compound, leveraging modern catalytic systems and green chemistry principles. For instance, studies have demonstrated the use of microwave-assisted synthesis to accelerate reaction rates while minimizing energy consumption. Such innovations underscore the commitment to sustainable practices in chemical manufacturing.

One of the most notable applications of Methyl 2,5-Difluoro-4-isopropoxybenzoate lies in its role as an intermediate in pharmaceutical development. Its structure makes it an ideal candidate for the synthesis of bioactive molecules targeting specific therapeutic areas. Recent research has focused on its potential as a precursor for drugs aimed at treating neurological disorders, such as Alzheimer's disease. The compound's ability to modulate key enzymes involved in neurotransmitter metabolism has been extensively studied, with promising results reported in preclinical models.

In addition to pharmaceutical applications, Methyl 2,5-Difluoro-4-isopropoxybenzoate has found utility in agrochemicals. Its role as a component in herbicides and fungicides has been explored due to its ability to inhibit key enzymes in plant pathogens. Field trials have shown enhanced crop yields when treated with formulations containing this compound, highlighting its importance in sustainable agriculture.

The environmental impact of Methyl 2,5-Difluoro-4-isopropoxybenzoate has also been a subject of recent investigations. Studies have assessed its biodegradability under various conditions, with findings indicating moderate persistence in certain ecosystems. Regulatory agencies are increasingly emphasizing the need for eco-friendly alternatives, prompting researchers to explore greener synthesis pathways and application methods for this compound.

In conclusion, Methyl 2,5-Difluoro-4-isopropoxybenzoate (CAS No. 2121515-25-9) stands as a pivotal molecule in contemporary chemical research and industry. Its versatility across multiple domains underscores the importance of continued exploration into its properties and applications. As scientific advancements continue to unfold, this compound is poised to play an even more significant role in shaping future innovations across various sectors.

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