Cas no 87769-68-4 (2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester)

2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester (CAS 352-87-4) is a fluorinated acrylate ester with the molecular formula C?H?F?O?. This compound features a reactive acrylate double bond and a trifluoromethyl group, imparting unique chemical properties such as enhanced stability, hydrophobicity, and resistance to degradation. Its ethyl ester moiety improves solubility in organic solvents, facilitating applications in polymerization and specialty coatings. The trifluoromethyl group contributes to low surface energy, making it useful in fluoropolymer synthesis and surface modification. This monomer is valued in advanced material research for its ability to impart fluorinated characteristics to polymers, improving thermal and chemical resistance. Suitable for controlled radical polymerization techniques, it is often employed in high-performance coatings and adhesives.
2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester structure
87769-68-4 structure
Product Name:2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No:87769-68-4
MF:C6H7F3O2
MW:168.113792657852
CID:652478
PubChem ID:11446554
Update Time:2025-05-25

2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester
    • ethyl 2-(trifluoromethyl)prop-2-enoate
    • 87769-68-4
    • ethyl 2-(trifluoromethyl)propenate
    • EN300-52168
    • ethyl 2-(trifluoromethyl)acrylate
    • DTXSID30466074
    • WFGNYCOGRUOTEB-UHFFFAOYSA-O
    • SCHEMBL304056
    • Inchi: 1S/C6H7F3O2/c1-3-11-5(10)4(2)6(7,8)9/h2-3H2,1H3
    • InChI Key: WFGNYCOGRUOTEB-UHFFFAOYSA-N
    • SMILES: FC(C(=C)C(=O)OCC)(F)F

Computed Properties

  • Exact Mass: 168.03981395g/mol
  • Monoisotopic Mass: 168.03981395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 171
  • 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
  • Topological Polar Surface Area: 26.3?2

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Additional information on 2-Propenoic acid, 2-(trifluoromethyl)-, ethyl ester

2-Propenoic Acid, 2-(Trifluoromethyl)-, Ethyl Ester (CAS No. 87769-68-4)

The compound 2-propenoic acid, 2-(trifluoromethyl)-, ethyl ester (CAS No. 87769-68-4) is a highly specialized organic compound with significant applications in various industries. This compound is a derivative of acrylic acid, where the hydrogen atom at the β-position (second carbon) is replaced by a trifluoromethyl group (-CF3), and the carboxylic acid group is esterified with an ethyl group. The structure of this compound can be represented as CH?=CH-CF3COOEt, where Et denotes the ethyl group.

The introduction of the trifluoromethyl group imparts unique properties to this compound. The trifluoromethyl group is known for its electron-withdrawing effect, which increases the reactivity of the compound in various chemical reactions. Additionally, the ethyl ester moiety enhances solubility and stability under certain conditions. These properties make 2-propenoic acid, 2-(trifluoromethyl)-, ethyl ester a valuable intermediate in the synthesis of advanced materials and pharmaceuticals.

Recent studies have highlighted the potential of this compound in the development of high-performance polymers. The ability of this compound to undergo polymerization under controlled conditions has led to its use in creating polymers with enhanced thermal stability and mechanical strength. For instance, researchers have explored its application in producing fluorinated polymers for use in aerospace and electronics industries, where resistance to high temperatures and chemical corrosion is critical.

In the field of drug delivery systems, this compound has shown promise as a precursor for biocompatible materials. Its ability to form hydrogels with tunable properties has made it a subject of interest in medical research. The trifluoromethyl group contributes to the hydrophobicity of the polymer matrix, which can be advantageous in encapsulating hydrophobic drugs and controlling their release rates.

The synthesis of 2-propenoic acid, 2-(trifluoromethyl)-, ethyl ester typically involves a multi-step process. One common method includes the substitution reaction of acrylic acid derivatives with trifluoromethyllithium or other fluorinating agents. The reaction conditions are carefully optimized to ensure high yields and purity of the final product. Advanced techniques such as nuclear magnetic resonance (NMR) and mass spectrometry are employed to confirm the structure and purity of the compound.

From an environmental perspective, this compound has been studied for its biodegradability and ecological impact. Research indicates that under certain conditions, it can undergo microbial degradation, reducing its persistence in natural environments. This information is crucial for industries aiming to adopt more sustainable practices and comply with environmental regulations.

In conclusion, 2-propenoic acid, 2-(trifluoromethyl)-, ethyl ester (CAS No. 87769-68-4) is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical properties make it an essential building block in modern material science and pharmaceutical research. As ongoing studies continue to uncover new potentials for this compound, its role in advancing technological innovations is expected to grow significantly.

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