Cas no 676621-96-8 (3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid)

3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is a fluorinated organic compound featuring a phenyl ring substituted with a fluorine atom at the para position and a branched carboxylic acid moiety. Its structural characteristics, including the electron-withdrawing fluorine group and sterically hindered dimethyl group adjacent to the carboxyl function, contribute to its stability and potential reactivity in synthetic applications. This compound is of interest in pharmaceutical and agrochemical research, where its fluorinated aromatic system may enhance bioavailability or modulate biological activity. The dimethyl substitution at the β-position may also influence metabolic resistance, making it a valuable intermediate in the development of specialized fine chemicals.
3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid structure
676621-96-8 structure
Product Name:3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid
CAS No:676621-96-8
MF:C11H13FO2
MW:196.218127012253
CID:1038725
PubChem ID:22350209
Update Time:2025-11-02

3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid
    • AK100307
    • ANW-70367
    • CTK8C3654
    • KB-233143
    • MolPort-008-648-495
    • SureCN5394972
    • EN300-1218150
    • 676621-96-8
    • O10872
    • F2147-6157
    • KS-7963
    • UOEYQQNZSXPUOA-UHFFFAOYSA-N
    • A867214
    • 3-(4-Fluorophenyl)-2,2-dimethyl-propionic Acid
    • SCHEMBL5394972
    • AKOS012032789
    • 3-(4-Fluorophenyl)-2,2-dimethylpropanoicacid
    • 4-Fluoro-a,a-dimethylbenzenepropanoic acid
    • DTXSID90625140
    • 3-(4-fluorophenyl)-2,2-dimethylpropionic acid
    • 4-Fluoro-alpha,alpha-dimethylbenzenepropanoic acid
    • MDL: MFCD16304273
    • Inchi: 1S/C11H13FO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
    • InChI Key: UOEYQQNZSXPUOA-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CC(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 196.08995782g/mol
  • Monoisotopic Mass: 196.08995782g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 205
  • 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: 37.3?2

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Additional information on 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid

3-(4-Fluorophenyl)-2,2-dimethylpropanoic Acid (CAS No. 676621-96-8): A Comprehensive Overview

3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid (CAS No. 676621-96-8) is a fluorinated organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique fluorophenyl and dimethylpropanoic acid structure, is widely studied for its potential applications in drug development and material science. Its molecular formula is C11H13FO2, and it exhibits properties that make it valuable in various industrial and scientific contexts.

The 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is particularly notable for its role as an intermediate in the synthesis of more complex molecules. Researchers are increasingly interested in its pharmacological properties, especially in the context of developing new therapeutic agents. The presence of the fluorine atom in its structure enhances its stability and bioavailability, making it a promising candidate for further exploration.

One of the key reasons for the growing interest in 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is its potential application in the treatment of metabolic disorders. Recent studies have highlighted its ability to modulate specific biochemical pathways, which could lead to breakthroughs in managing conditions like diabetes and obesity. This aligns with current health and wellness trends, where there is a strong demand for innovative solutions to chronic diseases.

In addition to its pharmaceutical applications, 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is also explored in the field of material science. Its unique chemical properties make it suitable for use in the development of advanced polymers and coatings. These materials are increasingly sought after in industries such as automotive, aerospace, and electronics, where durability and performance are critical.

The synthesis of 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid involves several steps, including the introduction of the fluorophenyl group and the subsequent formation of the dimethylpropanoic acid moiety. Researchers are continually optimizing these processes to improve yield and purity, which is essential for scaling up production. This focus on process optimization reflects broader trends in the chemical industry toward sustainability and efficiency.

From a market perspective, the demand for 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is expected to grow steadily in the coming years. This is driven by its expanding applications in both the pharmaceutical and material science sectors. Companies specializing in fine chemicals and custom synthesis are actively investing in the production of this compound to meet the needs of their clients.

Safety and regulatory compliance are also critical considerations when working with 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid. While it is not classified as a hazardous substance, proper handling and storage protocols must be followed to ensure workplace safety. This aligns with the increasing emphasis on occupational health and safety standards across industries.

In summary, 3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid (CAS No. 676621-96-8) is a versatile and valuable compound with significant potential in multiple fields. Its unique chemical structure, combined with its diverse applications, makes it a subject of ongoing research and development. As industries continue to innovate, the role of this compound is likely to expand, offering new opportunities for scientific and commercial advancement.

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