Cas no 868662-63-9 (2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID)

2-Trifluoromethylquinoline-7-carboxylic acid is a fluorinated quinoline derivative characterized by the presence of a trifluoromethyl group at the 2-position and a carboxylic acid moiety at the 7-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of bioactive molecules. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the carboxylic acid functionality allows for further derivatization. Its structural features make it suitable for applications in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. The compound is typically handled under standard laboratory conditions, with attention to compatibility in synthetic reactions.
2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID structure
868662-63-9 structure
Product Name:2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID
CAS No:868662-63-9
MF:C11H6F3NO2
MW:241.166053295135
MDL:MFCD08166671
CID:859450
PubChem ID:11550477
Update Time:2025-05-23

2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID
    • 2-(Trifluoromethyl)-quinoline-7-carboxylic acid
    • 2-(trifluoromethyl)quinoline-7-carboxylic acid
    • 2‐TRIFLUOROMETHYLQUINOLINE‐7‐CARBOXYLIC ACID
    • MFCD08166671
    • SB70995
    • AKOS015945241
    • DTXSID40468423
    • AMY26699
    • AS-67400
    • 2-(trifluoromethyl)quinoline-7-carboxylicAcid
    • K10206
    • WEFALJALMGHWBI-UHFFFAOYSA-N
    • 868662-63-9
    • MDL: MFCD08166671
    • Inchi: 1S/C11H6F3NO2/c12-11(13,14)9-4-3-6-1-2-7(10(16)17)5-8(6)15-9/h1-5H,(H,16,17)
    • InChI Key: WEFALJALMGHWBI-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=C2C=CC(C(=O)O)=CC2=N1)(F)F

Computed Properties

  • Exact Mass: 241.03500
  • Monoisotopic Mass: 241.03506292g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 306
  • 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: 2.6
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.481
  • Boiling Point: 329.469°C at 760 mmHg
  • Flash Point: 153.058°C
  • Refractive Index: 1.579
  • PSA: 50.19000
  • LogP: 2.95180

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Additional information on 2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID

2-Trifluoromethylquinoline-7-carboxylic acid (CAS No. 868662-63-9): A Comprehensive Overview

The compound 2-Trifluoromethylquinoline-7-carboxylic acid (CAS No. 868662-63-9) is a highly specialized organic molecule with significant potential in various fields, particularly in pharmaceutical research and material science. This compound belongs to the class of quinoline derivatives, which are known for their unique electronic properties and versatile applications. The trifluoromethyl group attached at the 2-position of the quinoline ring introduces additional functionality, enhancing its reactivity and making it a valuable substrate for further chemical modifications.

Recent advancements in synthetic chemistry have enabled the precise synthesis of 2-Trifluoromethylquinoline-7-carboxylic acid, leveraging cutting-edge methodologies such as microwave-assisted synthesis and catalytic cross-coupling reactions. These techniques not only improve the yield and purity of the compound but also pave the way for large-scale production, which is crucial for its commercial applications. The carboxylic acid group at the 7-position of the molecule plays a pivotal role in its reactivity, allowing for the formation of various derivatives through esterification, amidation, or other functional group transformations.

In terms of applications, 2-Trifluoromethylquinoline-7-carboxylic acid has shown promise in drug discovery programs targeting specific biological pathways. For instance, researchers have explored its potential as a lead compound in anti-inflammatory and anticancer drug development. The trifluoromethyl group contributes to the molecule's lipophilicity, enhancing its ability to penetrate cellular membranes and interact with target proteins. Furthermore, the quinoline scaffold is well-documented for its ability to bind to various receptors, making this compound a valuable tool in medicinal chemistry.

Recent studies have also highlighted the role of 2-Trifluoromethylquinoline-7-carboxylic acid in materials science, particularly in the development of advanced materials for optoelectronic devices. The compound's electronic properties make it a candidate for use in organic light-emitting diodes (OLEDs) and photovoltaic cells. Researchers have reported that incorporating this compound into polymer blends can significantly enhance their electrical conductivity and stability under ambient conditions.

The synthesis of 2-Trifluoromethylquinoline-7-carboxylic acid involves a multi-step process that begins with the preparation of intermediates such as 2-trifluoromethylquinoline. This intermediate undergoes further oxidation or functionalization to introduce the carboxylic acid group at the 7-position. The use of environmentally friendly reagents and catalysts has become a focus in recent synthetic protocols, aligning with global efforts to promote sustainable chemistry practices.

From an analytical standpoint, 2-Trifluoromethylquinoline-7-carboxylic acid has been thoroughly characterized using modern spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography. These analyses provide critical insights into the compound's molecular structure, purity, and stability under different conditions. Such detailed characterization is essential for ensuring the reliability of experimental results in both academic and industrial settings.

In conclusion, 2-Trifluoromethylquinoline-7-carboxylic acid (CAS No. 868662-63-9) stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthetic methods and application development, positions it as a key player in future innovations within pharmaceuticals and materials science.

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