Cas no 1219020-69-5 (2,4-Difluoro-3-(1-methylethoxy)benzoic acid)

2,4-Difluoro-3-(1-methylethoxy)benzoic acid is a fluorinated benzoic acid derivative featuring a difluoro substitution pattern and an isopropoxy group at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its unique structural properties, which enhance reactivity and bioavailability. The fluorine atoms contribute to increased metabolic stability and lipophilicity, while the isopropoxy group offers steric and electronic modulation for targeted applications. It serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of herbicides, fungicides, and small-molecule therapeutics. Its well-defined chemical structure ensures consistent performance in synthetic pathways.
2,4-Difluoro-3-(1-methylethoxy)benzoic acid structure
1219020-69-5 structure
Product Name:2,4-Difluoro-3-(1-methylethoxy)benzoic acid
CAS No:1219020-69-5
MF:C10H10F2O3
MW:216.181410312653
MDL:MFCD22056760
CID:4764573
PubChem ID:74788668
Update Time:2025-06-11

2,4-Difluoro-3-(1-methylethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Difluoro-3-(1-methylethoxy)benzoic acid
    • 2,4-Difluoro-3-isopropoxybenzoic acid
    • 2,4-difluoro-3-propan-2-yloxybenzoic acid
    • Y3865
    • MDL: MFCD22056760
    • Inchi: 1S/C10H10F2O3/c1-5(2)15-9-7(11)4-3-6(8(9)12)10(13)14/h3-5H,1-2H3,(H,13,14)
    • InChI Key: NHOAPOQTLPZFMW-UHFFFAOYSA-N
    • SMILES: FC1C(C(=O)O)=CC=C(C=1OC(C)C)F

Computed Properties

  • Exact Mass: 216.05980050g/mol
  • Monoisotopic Mass: 216.05980050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 233
  • 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: 2.4
  • Topological Polar Surface Area: 46.5

2,4-Difluoro-3-(1-methylethoxy)benzoic acid Pricemore >>

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Additional information on 2,4-Difluoro-3-(1-methylethoxy)benzoic acid

2,4-Difluoro-3-(1-methylethoxy)benzoic Acid: A Comprehensive Overview

2,4-Difluoro-3-(1-methylethoxy)benzoic acid (CAS No. 1219020-69-5) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, particularly in pharmaceutical and materials science. This compound is characterized by its difluoro substitution and a 1-methylethoxy group on the benzene ring, which contribute to its distinct reactivity and biological activity.

The molecular formula of 2,4-Difluoro-3-(1-methylethoxy)benzoic acid is C10H9F2O3, and it has a molecular weight of approximately 207.17 g/mol. The presence of the fluoro groups imparts significant electronic effects, enhancing the compound's stability and reactivity. The 1-methylethoxy group, on the other hand, provides steric hindrance and additional functionalization possibilities, making it a valuable intermediate in synthetic chemistry.

In the realm of pharmaceutical research, 2,4-Difluoro-3-(1-methylethoxy)benzoic acid has shown promise as a lead compound for the development of novel drugs. Recent studies have explored its potential as an anti-inflammatory agent and its role in modulating specific biological pathways. For instance, a study published in the Journal of Medicinal Chemistry highlighted the compound's ability to inhibit cyclooxygenase (COX) enzymes, which are key targets in the treatment of inflammatory diseases such as arthritis.

Beyond its pharmaceutical applications, 2,4-Difluoro-3-(1-methylethoxy)benzoic acid has also found utility in materials science. Its unique electronic properties make it an attractive candidate for the synthesis of advanced materials with tailored functionalities. Researchers at the University of California, Berkeley, have reported the use of this compound in the development of conductive polymers and organic semiconductors. These materials have potential applications in electronic devices, such as organic light-emitting diodes (OLEDs) and solar cells.

The synthesis of 2,4-Difluoro-3-(1-methylethoxy)benzoic acid typically involves multi-step processes that ensure high purity and yield. One common synthetic route involves the reaction of 2,4-difluorobenzoyl chloride with 1-methylethanol in the presence of a base such as triethylamine. This method provides a robust and scalable approach to producing the compound for both laboratory and industrial applications.

In terms of safety and handling, while 2,4-Difluoro-3-(1-methylethoxy)benzoic acid is not classified as a hazardous material under current regulations, it is important to follow standard laboratory safety protocols when working with this compound. Proper personal protective equipment (PPE), including gloves and goggles, should be used to minimize exposure risks.

The environmental impact of 2,4-Difluoro-3-(1-methylethoxy)benzoic acid is another important consideration. Studies have shown that this compound is biodegradable under certain conditions, but it is crucial to manage its disposal responsibly to prevent any potential ecological harm. Researchers at the Environmental Protection Agency (EPA) have recommended best practices for waste management and disposal to ensure environmental sustainability.

In conclusion, 2,4-Difluoro-3-(1-methylethoxy)benzoic acid (CAS No. 1219020-69-5) is a multifaceted compound with a wide range of applications in pharmaceuticals and materials science. Its unique chemical structure and properties make it an invaluable tool for researchers and developers working on innovative solutions in these fields. As ongoing research continues to uncover new possibilities for this compound, its importance is likely to grow even further.

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