Cas no 406-10-0 (2-Butenoic acid,4,4,4-trifluoro-, ethyl ester)

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester structure
406-10-0 structure
Product Name:2-Butenoic acid,4,4,4-trifluoro-, ethyl ester
CAS No:406-10-0
MF:C6H7F3O2
MW:168.113792657852
MDL:MFCD00009903
CID:333590
PubChem ID:24856340
Update Time:2025-07-19

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,4,4,4-trifluoro-, ethyl ester
    • 4,4,4-trifluoro-2-Butenoic acid ethyl ester
    • ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE
    • 4,4,4-Trifluor-2-butensaeureethylester
    • ethyl 3-(trifluoromethyl)-2-propenoate
    • ethyl 4,4,4-trifluoro-2-butenate
    • ethyl 4,4,4-trifluoro-2-butenoate
    • ethyl 4,4,4-trifluoro-crotonate
    • ethyl trifluoro-methylcrotonate
    • SCHEMBL195984
    • ETHYL TRANS-4,4,4-TRIFLUOROCROTONATE
    • 4,4,4-trifluoro-but-2-enoic acid ethyl ester
    • J-521320
    • 2-BUTENOIC ACID,4,4,4-TRIFLUORO-,ETHYL ESTER,(2E)-
    • trans-Ethyl 4,4,4-trifluorocrotonate
    • ethyl 4, 4,4-trifluorocrotonate
    • ethyl 4,4,4-trifluoro-(E)-butenoate
    • ethyl (E)-4,4,4-trifluorobut-2-enoate
    • 25597-16-4
    • NSC374114
    • NSC-374114
    • AS-30104
    • ZKRJCMKLCDWROR-ONEGZZNKSA-
    • AKOS005063525
    • AM20090309
    • Butenoic acid, 4,4,4-trifluoro-, ethyl ester
    • MFCD00009903
    • Ethyl 4,4,4-trifluorocrotonate, 98%
    • ethyl (E)-4,4,4-trifluorocrotonate
    • ethyl-4,4,4-trifluorocrotonate
    • ethyl (2E)-4,4,4-trifluorobut-2-enoate
    • DTXSID701282600
    • ethyl4,4,4-trifluoro-crotonate
    • 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-
    • Ethyl-4,4,4-triflurocrotonate
    • EN300-51154
    • (E)-ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE
    • ethyl trifluorocrotonate
    • Ethyl (2E)-4,4,4-trifluoro-2-butenoate #
    • Ethyl (2E)-4,4,4-trifluoro-2-butenoate
    • E0772
    • F8881-7852
    • Ethyl 4,4,4-trifluorocrotonate
    • 406-10-0
    • CS-B1754
    • SCHEMBL195983
    • InChI=1/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
    • Ethyl 4,4,4-trifluoro-trans-2-butenoate
    • NS00127233
    • EN300-305520
    • J-016064
    • 4,4,4-Trifluorocrotonic Acid Ethyl Ester
    • DB-290104
    • ethyl4,4,4-trifluorocrotonate
    • MDL: MFCD00009903
    • Inchi: 1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
    • InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N
    • SMILES: FC(/C=C/C(=O)OCC)(F)F

Computed Properties

  • Exact Mass: 168.039814
  • Monoisotopic Mass: 168.039814
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 26.3
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.125?g/mL?at 25?°C(lit.)
  • Boiling Point: 114-115?°C(lit.)
  • Flash Point: Degrees Fahrenheit:78.8°F
    Degrees Celsius:26°C
  • Refractive Index: n20/D 1.3601(lit.)
  • PSA: 26.30000
  • LogP: 1.66800

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester Security Information

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester Pricemore >>

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Additional information on 2-Butenoic acid,4,4,4-trifluoro-, ethyl ester

2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester (CAS No. 406-10-0): An Overview and Recent Developments

2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester (CAS No. 406-10-0) is a versatile organic compound that has gained significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, commonly known as ethyl 4,4,4-trifluoro-2-butenate, is characterized by its unique trifluoromethyl group and double bond, which confer it with distinct chemical properties and potential applications.

The trifluoromethyl group in 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester imparts enhanced lipophilicity and metabolic stability to the molecule. These properties make it an attractive candidate for the development of novel drugs and intermediates in the synthesis of various pharmaceuticals. The presence of the double bond also allows for a wide range of chemical transformations, including hydrogenation, halogenation, and addition reactions.

Recent studies have highlighted the potential of ethyl 4,4,4-trifluoro-2-butenate in the synthesis of fluorinated compounds, which are crucial in the development of new drugs with improved pharmacokinetic profiles. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester can serve as a key intermediate in the synthesis of fluorinated antiviral agents. These agents have shown promising activity against a variety of viral infections, including influenza and HIV.

In addition to its applications in drug discovery, ethyl 4,4,4-trifluoro-2-butenate has also been explored for its use in agrochemicals. The trifluoromethyl group enhances the stability and efficacy of pesticides and herbicides, making them more effective against target organisms while reducing environmental impact. A recent study in the Pest Management Science journal reported that compounds derived from 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester exhibited superior performance compared to traditional agrochemicals.

The synthetic versatility of ethyl 4,4,4-trifluoro-2-butenate has also been leveraged in the development of new materials. Researchers at the University of California have utilized this compound as a building block for creating fluorinated polymers with unique properties such as low surface energy and high thermal stability. These polymers have found applications in various industries, including coatings, adhesives, and electronics.

From a safety perspective, 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester is generally considered to be stable under normal laboratory conditions. However, it is important to handle this compound with care to avoid exposure to skin or inhalation. Proper personal protective equipment (PPE) should be used when working with this compound to ensure safety.

In conclusion, 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester (CAS No. 406-10-0) is a valuable compound with a wide range of applications in medicinal chemistry, agrochemicals, and materials science. Its unique chemical structure and properties make it an essential component in the development of new drugs and advanced materials. Ongoing research continues to uncover new potential uses for this versatile compound.

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