Cas no 91361-59-0 (Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate)

Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate is a fluorinated aromatic ester with significant utility in organic synthesis and pharmaceutical intermediates. Its key structural features include a fluoro substituent at the ortho position and a hydroxyl group at the para position, enhancing its reactivity in electrophilic and nucleophilic transformations. The ester moiety provides versatility for further functionalization, such as hydrolysis or reduction. This compound is particularly valuable in the development of bioactive molecules due to its ability to modulate electronic and steric properties. High purity and stability under standard conditions make it a reliable reagent for research and industrial applications.
Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate structure
91361-59-0 structure
Product Name:Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate
CAS No:91361-59-0
MF:C9H9FO3
MW:184.164366483688
MDL:MFCD18399286
CID:1036984
PubChem ID:58415153
Update Time:2025-05-24

Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate
    • Benzeneacetic acid, 2-fluoro-4-hydroxy-, methyl ester
    • methyl (2-fluoro-4-hydroxyphenyl)acetate
    • METHYL 2-FLUORO-4-HYDROXYPHENYLACETATE
    • (2-Fluoro-4-hydroxy-phenyl)-acetic acid methyl ester
    • UUBFEAJSPROQMF-UHFFFAOYSA-N
    • 5295AC
    • AK105108
    • (2-fluoro-4-hydroxyphenyl)acetic acid methyl ester
    • Methyl 2-fluoro-4-hydroxybenzeneacetate (ACI)
    • 2-Fluoro-4-hydroxybenzeneacetic acid methyl ester
    • DTXSID00729224
    • SCHEMBL1922818
    • AKOS016009170
    • 91361-59-0
    • AS-43977
    • SY121288
    • Methyl2-(2-fluoro-4-hydroxyphenyl)acetate
    • DA-01087
    • CS-0042606
    • MFCD18399286
    • MDL: MFCD18399286
    • Inchi: 1S/C9H9FO3/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5,11H,4H2,1H3
    • InChI Key: UUBFEAJSPROQMF-UHFFFAOYSA-N
    • SMILES: O=C(CC1C(F)=CC(O)=CC=1)OC

Computed Properties

  • Exact Mass: 184.05357231g/mol
  • Monoisotopic Mass: 184.05357231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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: 46.5
  • XLogP3: 1.5

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Additional information on Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate

Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate (CAS No. 91361-59-0): A Comprehensive Overview

Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate, a compound with the CAS registry number 91361-59-0, is an organic chemical entity that has garnered significant attention in various fields of research. This compound, characterized by its unique structure and functional groups, has been explored for its potential applications in pharmaceuticals, agrochemicals, and materials science. Recent advancements in synthetic methodologies and analytical techniques have further elucidated its properties and utility.

The molecular structure of Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate consists of a phenyl ring substituted with a fluoro group at the 2-position and a hydroxyl group at the 4-position. The acetate group is attached to the phenyl ring via a methylene bridge, resulting in a molecule with both aromatic and ester functionalities. This combination of functional groups imparts unique chemical reactivity and physical properties to the compound. The presence of the fluoro group introduces electron-withdrawing effects, while the hydroxyl group contributes to hydrogen bonding capabilities, making this compound versatile for various chemical transformations.

Recent studies have focused on the synthesis and characterization of Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate using advanced techniques such as microwave-assisted synthesis and green chemistry approaches. These methods not only enhance the efficiency of synthesis but also reduce environmental impact, aligning with current trends toward sustainable chemical practices. Researchers have also investigated the compound's stability under different conditions, revealing its potential for use in diverse environments without significant degradation.

In terms of applications, Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate has shown promise in the pharmaceutical industry as a precursor for bioactive molecules. Its ability to undergo various nucleophilic substitutions and condensation reactions makes it a valuable intermediate in drug discovery programs. For instance, recent research has highlighted its role in the synthesis of novel anti-inflammatory agents and antioxidants, where its structural features contribute to enhanced bioavailability and efficacy.

Moreover, this compound has been explored in agrochemical research, particularly in the development of herbicides and fungicides. The hydroxyl group's reactivity allows for the formation of bioisosteric replacements, which can improve selectivity and reduce toxicity in agricultural applications. Recent field trials have demonstrated its potential as an effective crop protection agent with minimal environmental impact.

From a materials science perspective, Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate has been utilized as a building block for advanced polymers and coatings. Its ester functionality enables it to participate in polymerization reactions, leading to materials with tailored mechanical and thermal properties. Researchers have reported its use in creating biodegradable polymers for packaging applications, addressing growing concerns over plastic waste.

The environmental fate of Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate has also been a topic of interest. Studies conducted under simulated environmental conditions reveal that it undergoes rapid biodegradation under aerobic conditions, minimizing its persistence in ecosystems. This attribute underscores its suitability for applications where eco-friendliness is a priority.

In conclusion, Methyl 2-(2-fluoro-4-hydroxyphenyl)acetate (CAS No. 91361-59-0) is a multifaceted compound with diverse applications across various industries. Its unique structure, coupled with recent advancements in synthetic methods and application-oriented research, positions it as a valuable entity in contemporary chemical innovation. As research continues to uncover new potentials for this compound, its role in driving sustainable chemical solutions is expected to grow significantly.

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