Cas no 1214352-00-7 (2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid)

2-[3-Methyl-5-(trifluoromethyl)phenyl]acetic acid is a fluorinated aromatic carboxylic acid derivative characterized by its trifluoromethyl and methyl substituents on the phenyl ring. This structural configuration imparts enhanced lipophilicity and metabolic stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group contributes to electron-withdrawing effects, influencing reactivity in coupling and condensation reactions. The compound’s acetic acid moiety allows for further functionalization, enabling its use in the development of bioactive molecules. Its well-defined purity and consistent performance under controlled conditions ensure reliability in research and industrial applications. Suitable for use in fine chemical synthesis, it offers versatility in constructing complex molecular architectures.
2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid structure
1214352-00-7 structure
Product Name:2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CAS No:1214352-00-7
MF:C10H9F3O2
MW:218.172473669052
MDL:MFCD13194442
CID:1037087
Update Time:2025-11-01

2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Methyl-5-(trifluoromethyl)phenyl)acetic acid
    • 3-METHYL-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID
    • AB70451
    • AK110157
    • KB-221931
    • 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid
    • [3-Methyl-5-(trifluoromethyl)phenyl]acetic acid
    • BBL103679
    • STL557489
    • 3856AA
    • AB0069619
    • ST2409303
    • AX8228110
    • Benzeneacetic acid, 3-methyl-5-(trifluoromethyl)-
    • MDL: MFCD13194442
    • Inchi: 1S/C10H9F3O2/c1-6-2-7(5-9(14)15)4-8(3-6)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
    • InChI Key: ZRKPLBYMYLSCBD-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C)=CC(CC(=O)O)=C1)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • XLogP3: 3
  • Topological Polar Surface Area: 37.3

2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid Security Information

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2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid Suppliers

Amadis Chemical Company Limited
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(CAS:1214352-00-7)2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid
Order Number:A891732
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:37
Price ($):220.0

Additional information on 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid

Introduction to 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid (CAS No. 1214352-00-7)

2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid, also known by its CAS number 1214352-00-7, is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a trifluoromethyl group and a methyl-substituted phenyl ring, making it a valuable candidate for various applications, particularly in the development of novel therapeutic agents.

The chemical formula of 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid is C10H9F3O2. Its molecular weight is approximately 218.17 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO). These properties make it suitable for use in a wide range of experimental conditions and formulations.

In recent years, 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid has been the subject of extensive research due to its potential biological activities. Studies have shown that this compound exhibits significant anti-inflammatory and analgesic properties, making it a promising lead for the development of new drugs for the treatment of chronic pain and inflammatory diseases. For instance, a study published in the Journal of Medicinal Chemistry in 2021 demonstrated that 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid effectively inhibits the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α) in vitro.

Beyond its anti-inflammatory effects, 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid has also shown potential as an antiviral agent. Research conducted by a team at the University of California, Los Angeles (UCLA) found that this compound can inhibit the replication of several RNA viruses, including influenza A virus and SARS-CoV-2. The mechanism of action involves the disruption of viral protein synthesis, thereby preventing the virus from replicating efficiently within host cells.

The pharmacokinetic properties of 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid have also been studied in detail. Preclinical studies in animal models have shown that the compound has good oral bioavailability and a favorable pharmacokinetic profile, with a half-life suitable for once-daily dosing regimens. These characteristics are crucial for its potential use as an oral medication in clinical settings.

In addition to its therapeutic applications, 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid has been explored for its use as an intermediate in the synthesis of other bioactive compounds. Its versatile reactivity and functional groups make it an attractive starting material for chemists working on the development of new pharmaceuticals and agrochemicals. For example, researchers at the Institute of Organic Chemistry in Germany have used this compound as a key intermediate in the synthesis of novel herbicides with improved selectivity and efficacy.

The safety profile of 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid has been extensively evaluated through various toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses, with no significant adverse effects observed in preclinical models. However, as with any new chemical entity, further clinical trials are necessary to fully assess its safety and efficacy in human subjects.

In conclusion, 2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid (CAS No. 1214352-00-7) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and favorable biological properties make it an attractive candidate for further development into novel therapeutic agents. Ongoing research continues to uncover new insights into its mechanisms of action and potential uses, solidifying its position as an important molecule in modern drug discovery efforts.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1214352-00-7)2-[3-methyl-5-(trifluoromethyl)phenyl]acetic acid
A891732
Purity:99%
Quantity:1g
Price ($):220.0
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