Cas no 1261909-81-2 (5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol)

5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol is a specialized phenolic compound featuring a trifluoromethoxy substituent, which enhances its stability and lipophilicity. The presence of a methoxy and methyl group on the phenyl ring contributes to its unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The trifluoromethoxy group imparts resistance to metabolic degradation, improving its potential utility in bioactive molecule development. This compound is particularly useful in the design of agrochemicals, pharmaceuticals, and advanced materials, where its structural motifs can influence reactivity and binding interactions. High purity and well-defined synthesis pathways ensure reproducibility for research applications.
5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol structure
1261909-81-2 structure
Product Name:5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol
CAS No:1261909-81-2
MF:C15H13F3O3
MW:298.257135152817
MDL:MFCD18316298
CID:2762845
PubChem ID:53222021
Update Time:2025-05-24

5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 1261909-81-2
    • DTXSID60686607
    • 5-(4-METHOXY-2-METHYLPHENYL)-3-TRIFLUOROMETHOXYPHENOL
    • MFCD18316298
    • 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol, 95%
    • 4'-Methoxy-2'-methyl-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol
    • MDL: MFCD18316298
    • Inchi: 1S/C15H13F3O3/c1-9-5-12(20-2)3-4-14(9)10-6-11(19)8-13(7-10)21-15(16,17)18/h3-8,19H,1-2H3
    • InChI Key: PJQOVRYYFLAONC-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC(=CC(=C1)C1C=CC(=CC=1C)OC)O)(F)F

Computed Properties

  • Exact Mass: 298.08167876g/mol
  • Monoisotopic Mass: 298.08167876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 335
  • 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: 4.7
  • Topological Polar Surface Area: 38.7?2

5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322506-5 g
5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261909-81-2 95%
5g
€1159.00 2023-06-21
abcr
AB322506-5g
5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261909-81-2 95%
5g
€1159.00 2025-02-21

Additional information on 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol

5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol: A Comprehensive Overview

CAS No 1261909-81-2, also known as 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol, is a highly specialized organic compound with significant applications in various fields of chemistry and material science. This compound has garnered attention due to its unique structural properties and potential for use in advanced chemical systems. The molecule consists of a phenol backbone with substituents that include a trifluoromethoxy group and a methoxy-substituted aromatic ring, making it a versatile compound for research and development.

The synthesis of 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol involves a series of carefully designed organic reactions, including nucleophilic aromatic substitution and coupling reactions. Recent studies have focused on optimizing the synthesis pathways to enhance yield and purity, which are critical for its application in high-performance materials. Researchers have explored the use of microwave-assisted synthesis and catalytic systems to streamline the production process, making it more efficient and scalable.

The structural integrity of this compound is largely attributed to the electron-withdrawing trifluoromethoxy group, which significantly influences the electronic properties of the molecule. This group enhances the reactivity of the phenolic hydroxyl group, making it suitable for various chemical transformations. Additionally, the methoxy group at position 4 of the aromatic ring contributes to the compound's stability and solubility in organic solvents, which are essential properties for its use in pharmaceutical and agrochemical industries.

Recent advancements in computational chemistry have enabled researchers to predict the electronic properties and reactivity of CAS No 1261909-81-2 with high accuracy. These studies have revealed that the compound exhibits strong electron-withdrawing effects due to the trifluoromethoxy group, which can be leveraged in designing new materials with tailored electronic properties. Furthermore, density functional theory (DFT) calculations have provided insights into the molecular orbital structure, aiding in the design of novel compounds with improved functionality.

In terms of applications, 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol has shown promise in the development of advanced polymers and composites. Its ability to undergo polymerization under specific conditions makes it a valuable building block for creating materials with enhanced mechanical and thermal properties. Additionally, its compatibility with various functional groups allows for the creation of hybrid materials that combine organic and inorganic components, opening new avenues for material science research.

The biological activity of this compound has also been a subject of recent investigations. Studies have demonstrated that it exhibits moderate antioxidant activity, which could be beneficial in developing new therapeutic agents. Furthermore, its ability to interact with biological systems without causing significant toxicity makes it a potential candidate for drug delivery systems. Researchers are exploring its use as a carrier for hydrophobic drugs, leveraging its solubility properties to enhance drug efficacy.

In conclusion, CAS No 1261909-81-2, or 5-(4-Methoxy-2-methylphenyl)-3-trifluoromethoxyphenol, represents a cutting-edge compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with advancements in synthesis techniques and computational modeling, positions it as a key player in future innovations within chemistry and material science. As research continues to uncover its full potential, this compound is poised to make significant contributions to both academic and industrial sectors.

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