Cas no 128227-97-4 (Ethyl 2-Methyl-4,4,4-trifluorocrotonate)

Ethyl 2-Methyl-4,4,4-trifluorocrotonate is a fluorinated ester with the molecular formula C?H?F?O?. This compound features a trifluoromethyl group and a crotonate backbone, making it a versatile intermediate in organic synthesis, particularly for introducing fluorinated motifs into target molecules. Its reactive α,β-unsaturated ester structure allows for applications in Michael additions, cycloadditions, and other conjugate addition reactions. The presence of the trifluoromethyl group enhances lipophilicity and metabolic stability, which is valuable in pharmaceutical and agrochemical development. The ethyl ester moiety also facilitates further derivatization under mild conditions. This compound is typically handled under inert conditions due to its sensitivity to moisture and air.
Ethyl 2-Methyl-4,4,4-trifluorocrotonate structure
128227-97-4 structure
Product Name:Ethyl 2-Methyl-4,4,4-trifluorocrotonate
CAS No:128227-97-4
MF:C7H9F3O2
MW:182.140372991562
CID:137095
PubChem ID:5702867
Update Time:2025-05-20

Ethyl 2-Methyl-4,4,4-trifluorocrotonate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester
    • ETHYL 2-METHYL-4,4,4-TRIFLUOROCROTONATE
    • Ethyl 2-methyl-4,4,4-trifluoro-2-butenoate~2-Methyl-4,4,4-trifluorocrotonic acid ethyl ester
    • Ethyl 2-methyl-4,4,4-trifluorobut-2-enoate
    • Ethyl2-methyl-4,4,4-trifluorocrotonate95%
    • Ethyl 2-methyl-4,4,4-trifluorocrotonate 95%
    • SCHEMBL3230569
    • ethyl4,4,4-trifluoro-2-methylbut-2-enoate
    • ethyl (E)-2-methyl-4,4,4-trifluorobut-2-enoate
    • MS-20773
    • ethyl (E)-4,4,4-trifluoro-2-methylbut-2-enoate
    • SCHEMBL8828773
    • 2-Butenoic acid,4,4,4-trifluoro-2-methyl-,ethyl ester
    • ethyl 4,4,4-trifluoro-2-methylbut-2-enoate
    • AKOS006228570
    • MFCD00190637
    • 128227-97-4
    • Ethyl 2-Methyl-4,4,4-trifluorocrotonate
    • Inchi： 1S/C7H9F3O2/c1-3-12-6(11)5(2)4-7(8,9)10/h4H,3H2,1-2H3/b5-4+
    • InChI Key： PQNRXTIKMSOZQI-SNAWJCMRSA-N
    • SMILES： FC(/C=C(\C)/C(=O)OCC)(F)F

Computed Properties

  • Exact Mass: 182.05500
  • Monoisotopic Mass: 182.05546401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.157
  • Boiling Point: 134 °C
  • Flash Point: 45.7°C
  • Refractive Index: 1.3755
  • PSA: 26.30000
  • LogP: 2.05810

Ethyl 2-Methyl-4,4,4-trifluorocrotonate Security Information

  • Hazard Statement： Flammable
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： F Xi
  • HazardClass：IRRITANT, FLAMMABLE
  • Risk Phrases：R10; R36/37/38
  • Safety Term：S26;S36

Ethyl 2-Methyl-4,4,4-trifluorocrotonate Customs Data

  • HS CODE：2916190090
  • Customs Data：

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

Ethyl 2-Methyl-4,4,4-trifluorocrotonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E937820-10mg
Ethyl 2-Methyl-4,4,4-trifluorocrotonate
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Ethyl 2-Methyl-4,4,4-trifluorocrotonate Related Literature

Related Categories

Additional information on Ethyl 2-Methyl-4,4,4-trifluorocrotonate

Ethyl 2-Methyl-4,4,4-Trifluorocrotonate: A Comprehensive Overview

Ethyl 2-Methyl-4,4,4-Trifluorocrotonate (CAS No. 128227-97-4) is a highly specialized organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a trifluoromethyl group attached to a crotonate backbone. The Ethyl 2-Methyl-4,4,4-Trifluorocrotonate molecule exhibits exceptional chemical stability and reactivity, making it a valuable component in various industrial and research applications.

Recent studies have highlighted the potential of Ethyl 2-Methyl-4,4,4-Trifluorocrotonate in the development of advanced materials. Researchers have explored its use as a precursor for synthesizing fluorinated polymers, which are known for their excellent thermal and chemical resistance. These polymers find applications in high-performance coatings, electronics, and aerospace industries. The trifluoromethyl group in the molecule contributes significantly to its ability to form strong carbon-fluorine bonds, which are essential for these applications.

In addition to its role in polymer synthesis, Ethyl 2-Methyl-4,4,4-Trifluorocrotonate has been investigated for its potential in pharmaceuticals. The compound's structure allows for selective chemical modifications, enabling the creation of bioactive molecules with tailored properties. For instance, studies have shown that derivatives of this compound can act as inhibitors for certain enzymes involved in metabolic pathways. This opens up possibilities for the development of new drugs targeting metabolic disorders.

The synthesis of Ethyl 2-Methyl-4,4,4-Trifluorocrotonate involves a multi-step process that requires precise control over reaction conditions. Key steps include the fluorination of intermediate compounds and subsequent esterification to achieve the final product. Advanced techniques such as microwave-assisted synthesis and catalytic methods have been employed to optimize the production process, ensuring high yields and purity.

From an environmental perspective, the handling and disposal of Ethyl 2-Methyl-4,4,4-Trifluorocrotonate must adhere to strict safety protocols. While the compound itself is not classified as hazardous under normal conditions, its production and application require careful management to prevent any unintended environmental impacts. Ongoing research is focused on developing more sustainable synthesis methods and recycling strategies for this compound.

In conclusion, Ethyl 2-Methyl-4,4,4-Trifluorocrotonate (CAS No. 128227-97-4) stands out as a versatile and innovative chemical entity with wide-ranging applications across multiple industries. Its unique properties make it an essential component in modern material science and pharmaceutical research. As advancements in synthetic methods and application development continue to unfold, this compound is poised to play an even more significant role in shaping future technologies.

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