Cas no 472809-74-8 (2-Propoxy-5-(trifluoromethyl)benzaldehyde)

2-Propoxy-5-(trifluoromethyl)benzaldehyde is a fluorinated aromatic aldehyde featuring a propoxy substituent at the 2-position and a trifluoromethyl group at the 5-position of the benzaldehyde core. This compound is valued for its electron-withdrawing trifluoromethyl group, which enhances reactivity in nucleophilic addition and condensation reactions, making it a useful intermediate in pharmaceutical and agrochemical synthesis. The propoxy moiety contributes to improved solubility in organic solvents, facilitating downstream processing. Its structural features enable selective functionalization, particularly in the development of bioactive molecules and specialty chemicals. The compound's stability under typical reaction conditions further supports its utility in multistep synthetic routes.
2-Propoxy-5-(trifluoromethyl)benzaldehyde structure
472809-74-8 structure
Product Name:2-Propoxy-5-(trifluoromethyl)benzaldehyde
CAS No:472809-74-8
MF:C11H11F3O2
MW:232.199054002762
MDL:MFCD06248747
CID:1056602
PubChem ID:53486313
Update Time:2025-05-20

2-Propoxy-5-(trifluoromethyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Propoxy-5-(trifluoromethyl)benzaldehyde
    • DB-070786
    • SY014316
    • AC-23623
    • AC6193
    • 472809-74-8
    • AKOS022177568
    • MFCD06248747
    • DTXSID30704887
    • A872195
    • CS-0452802
    • MDL: MFCD06248747
    • Inchi: 1S/C11H11F3O2/c1-2-5-16-10-4-3-9(11(12,13)14)6-8(10)7-15/h3-4,6-7H,2,5H2,1H3
    • InChI Key: FRVUDAKGTXJKTR-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(C=O)C=1)OCCC)(F)F

Computed Properties

  • Exact Mass: 232.07100
  • Monoisotopic Mass: 232.07111408g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 228
  • 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: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.30670

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Additional information on 2-Propoxy-5-(trifluoromethyl)benzaldehyde

2-Propoxy-5-(trifluoromethyl)benzaldehyde (CAS No. 472809-74-8): A Comprehensive Overview

2-Propoxy-5-(trifluoromethyl)benzaldehyde (CAS No. 472809-74-8) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound, characterized by its unique trifluoromethyl and propoxy substituents, exhibits a range of properties that make it an attractive candidate for various applications, including pharmaceuticals, agrochemicals, and advanced materials.

The molecular structure of 2-Propoxy-5-(trifluoromethyl)benzaldehyde is defined by its aromatic ring, which is substituted with a propoxy group at the 2-position and a trifluoromethyl group at the 5-position. The presence of these functional groups imparts distinct chemical and physical properties to the molecule. The propoxy group enhances solubility and reactivity, while the trifluoromethyl group contributes to the compound's stability and electronic characteristics.

In recent years, 2-Propoxy-5-(trifluoromethyl)benzaldehyde has been extensively studied for its potential applications in medicinal chemistry. One notable area of research involves its use as an intermediate in the synthesis of novel drugs. The compound's reactivity and stability make it an ideal starting material for the preparation of complex molecules with therapeutic potential. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of 2-Propoxy-5-(trifluoromethyl)benzaldehyde in the synthesis of a series of compounds with potent anti-inflammatory properties.

Beyond pharmaceuticals, 2-Propoxy-5-(trifluoromethyl)benzaldehyde has also found applications in the development of advanced materials. Its unique electronic properties make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Researchers at the University of California, Berkeley, have demonstrated that derivatives of 2-Propoxy-5-(trifluoromethyl)benzaldehyde can significantly enhance the performance of OLED devices by improving their efficiency and stability.

The synthesis of 2-Propoxy-5-(trifluoromethyl)benzaldehyde typically involves a multi-step process that includes the formation of the aromatic ring, introduction of the propoxy group, and subsequent addition of the trifluoromethyl group. Various synthetic routes have been reported in the literature, each with its own advantages and limitations. A commonly used method involves the reaction of 5-trifluoromethyl-bromobenzene with propylene oxide in the presence of a base to form the propoxy-substituted intermediate, followed by oxidation to yield the final aldehyde product.

The physical properties of 2-Propoxy-5-(trifluoromethyl)benzaldehyde, such as its melting point, boiling point, and solubility, are crucial for its handling and application. The compound is typically a solid at room temperature with a melting point ranging from 60 to 65°C. It is moderately soluble in common organic solvents like dichloromethane and ethanol but has limited solubility in water. These properties make it suitable for use in both laboratory-scale experiments and industrial processes.

Safety considerations are an essential aspect when working with any chemical compound. While 2-Propoxy-5-(trifluoromethyl)benzaldehyde is not classified as a hazardous material under current regulations, it is important to handle it with care to avoid potential risks. Proper personal protective equipment (PPE), such as gloves and safety goggles, should be used when handling this compound. Additionally, appropriate ventilation should be ensured to minimize exposure to vapors.

In conclusion, 2-Propoxy-5-(trifluoromethyl)benzaldehyde (CAS No. 472809-74-8) is a valuable compound with a wide range of applications in various scientific fields. Its unique chemical structure and properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new uses for this compound, its importance in both academic and industrial settings is likely to grow.

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