Cas no 34060-79-2 (Methyl 2,6-bis(trifluoromethyl)benzoate)

Methyl 2,6-bis(trifluoromethyl)benzoate is a fluorinated aromatic ester characterized by its two trifluoromethyl groups at the 2- and 6-positions of the benzene ring. This structural feature enhances its electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The compound exhibits high stability and reactivity, facilitating its use in cross-coupling reactions and as a building block for complex fluorinated molecules. Its volatility and solubility in common organic solvents further contribute to its utility in laboratory and industrial applications. The presence of trifluoromethyl groups also imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability.
Methyl 2,6-bis(trifluoromethyl)benzoate structure
34060-79-2 structure
Product Name:Methyl 2,6-bis(trifluoromethyl)benzoate
CAS No:34060-79-2
MF:C10H6F6O2
MW:272.143864154816
CID:1084326
PubChem ID:22420073
Update Time:2025-10-31

Methyl 2,6-bis(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,6-bis(trifluoromethyl)benzoate
    • benzoic acid, 2,6-bis(trifluoromethyl)-, methyl ester
    • LogP
    • 34060-79-2
    • methyl 2,6-bis-trifluoromethyl-benzoate
    • SCHEMBL1994212
    • Inchi: 1S/C10H6F6O2/c1-18-8(17)7-5(9(11,12)13)3-2-4-6(7)10(14,15)16/h2-4H,1H3
    • InChI Key: REVARYIIRMTKOD-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C(F)(F)F)C=1C(=O)OC)(F)F

Computed Properties

  • Exact Mass: 272.02719840g/mol
  • Monoisotopic Mass: 272.02719840g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 287
  • 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: 3.6
  • Topological Polar Surface Area: 26.3?2

Methyl 2,6-bis(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015008062-250mg
Methyl 2,6-bis(trifluoromethyl)benzoate
34060-79-2 97%
250mg
$480.00 2023-09-02
Alichem
A015008062-500mg
Methyl 2,6-bis(trifluoromethyl)benzoate
34060-79-2 97%
500mg
$855.75 2023-09-02
Alichem
A015008062-1g
Methyl 2,6-bis(trifluoromethyl)benzoate
34060-79-2 97%
1g
$1579.40 2023-09-02

Additional information on Methyl 2,6-bis(trifluoromethyl)benzoate

Methyl 2,6-bis(trifluoromethyl)benzoate (CAS No. 34060-79-2): A Versatile Intermediate in Modern Chemical Biology and Medicinal Chemistry

Methyl 2,6-bis(trifluoromethyl)benzoate, identified by its CAS number 34060-79-2, is a fluorinated aromatic ester that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its unique structural and electronic properties. The presence of multiple trifluoromethyl groups imparts exceptional stability, lipophilicity, and metabolic resistance, making it a valuable building block for the synthesis of complex molecules.

The< strong>trifluoromethyl group is a well-documented pharmacophore that enhances the bioavailability and binding affinity of drug candidates. In recent years, the incorporation of this moiety into pharmaceutical compounds has been extensively studied for its ability to modulate enzyme activity and receptor interactions. Methyl 2,6-bis(trifluoromethyl)benzoate serves as a precursor in the synthesis of various bioactive molecules, including kinase inhibitors, antiviral agents, and anti-inflammatory drugs.

One of the most compelling applications of Methyl 2,6-bis(trifluoromethyl)benzoate is in the development of next-generation agrochemicals. The< strong>bis(trifluoromethyl) substitution pattern enhances the herbicidal and pesticidal properties of compounds derived from this intermediate. Recent studies have demonstrated its utility in creating novel formulations that exhibit improved efficacy while minimizing environmental impact.

In the realm of material science, Methyl 2,6-bis(trifluoromethyl)benzoate has been employed as a monomer in the synthesis of high-performance polymers. These polymers exhibit exceptional thermal stability and chemical resistance, making them suitable for applications in aerospace, automotive, and electronics industries. The< strong>trifluoromethyl groups contribute to the overall robustness of the polymer matrix by reinforcing intermolecular interactions.

The pharmaceutical industry has also leveraged Methyl 2,6-bis(trifluoromethyl)benzoate in the design of protease inhibitors. Proteases play a crucial role in various biological pathways, and their inhibition is often key to developing therapeutic strategies against diseases such as cancer and HIV. The< strong>bis(trifluoromethyl) groups enhance the binding affinity of these inhibitors to their target enzymes, leading to more potent and selective drug candidates.

In conclusion, Methyl 2,6-bis(trifluoromethyl)benzoate (CAS No. 34060-79-2) is a multifaceted compound with broad applications across multiple disciplines. Its unique structural features make it an indispensable tool for synthetic chemists working on cutting-edge research projects. As our understanding of fluorinated compounds continues to evolve, it is likely that Methyl 2,6-bis(trifluoromethyl)benzoate will remain at the forefront of innovation in chemical biology and medicinal chemistry.

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