Cas no 406-94-0 ((2E)-4,4,4-trifluorobut-2-enoic acid)

(2E)-4,4,4-Trifluorobut-2-enoic acid is a fluorinated unsaturated carboxylic acid characterized by its trifluoromethyl group and α,β-unsaturated structure. This compound is valuable in organic synthesis and pharmaceutical intermediates due to its electrophilic reactivity, enabling Michael additions and other conjugate reactions. The presence of the trifluoromethyl group enhances metabolic stability and lipophilicity, making it useful in drug design. Its rigid alkene backbone allows for stereoselective transformations, while the carboxylic acid functionality permits further derivatization. The compound’s high purity and well-defined (E)-configuration ensure consistent performance in applications such as agrochemicals, specialty materials, and bioactive molecule development. Proper handling is advised due to its potential reactivity.
(2E)-4,4,4-trifluorobut-2-enoic acid structure
406-94-0 structure
Product Name:(2E)-4,4,4-trifluorobut-2-enoic acid
CAS No:406-94-0
MF:C4H3F3O2
MW:140.060631990433
MDL:MFCD02181180
CID:1512939
PubChem ID:5709614
Update Time:2025-05-24

(2E)-4,4,4-trifluorobut-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 4,4,4-trifluoro-, (E)-
    • 4,4,4-trifluorobut-2-enoic acid
    • (E)-4,4,4-trifluorocrotonic acid
    • 2-Butenoic acid,4,4,4-trifluoro
    • 2-Butenoic acid,4,4,4-trifluoro-,(E)
    • 3,3,3-trifluorocrotonic acid
    • 3-trifluoromethyl acrylic acid
    • 4,4,4-trifluorocrotonic acid
    • trans-4,4,4-trifluorocrotonic acid
    • (2E)-4,4,4-trifluorobut-2-enoic acid
    • (E)-4,4,4-Trifluorobut-2-enoic acid
    • 71027-02-6
    • AT31592
    • (E)-4,4,4-tris(fluoranyl)but-2-enoic acid
    • trifluorocrotonic acid
    • (2E)-4,4,4-Trifluoro-2-butenoicacid
    • D77314
    • (E)-4,4,4-trifluoro-2-butenoic acid
    • BBL101293
    • MFCD02181180
    • STL555089
    • J-513969
    • CS-B1753
    • EN300-305521
    • 4,4,4-TRIFLUORO-2-BUTENOIC ACID
    • 406-94-0
    • AT12713
    • 4,4,4-trifluorobut-2-enoicacid
    • 2-Butenoic acid, 4,4,4-trifluoro-
    • (2E)-4,4,4-Trifluoro-2-butenoic acid
    • MS-20194
    • A837053
    • AMY37157
    • DTXSID701289701
    • AKOS005063539
    • 4,4,4-Trifluorocrotonic acid, 96%
    • MDL: MFCD02181180
    • Inchi: 1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+
    • InChI Key: QZBAYURFHCTXOJ-OWOJBTEDSA-N
    • SMILES: FC(/C=C/C(=O)O)(F)F

Computed Properties

  • Exact Mass: 140.00900
  • Monoisotopic Mass: 140.00851382g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 135
  • 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: 1.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 1.18950

(2E)-4,4,4-trifluorobut-2-enoic acid 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%

(2E)-4,4,4-trifluorobut-2-enoic acid Pricemore >>

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(2E)-4,4,4-trifluorobut-2-enoic acid Production Method

(2E)-4,4,4-trifluorobut-2-enoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:406-94-0)(2E)-4,4,4-trifluorobut-2-enoic acid
Order Number:A1028583
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:36
Price ($):182.0

Additional information on (2E)-4,4,4-trifluorobut-2-enoic acid

(2E)-4,4,4-trifluorobut-2-enoic acid and Its Significance in Modern Chemical Biology

(2E)-4,4,4-trifluorobut-2-enoic acid, with the CAS number 406-94-0, is a fluorinated derivative of but-2-enoic acid that has garnered significant attention in the field of chemical biology due to its unique structural and functional properties. This compound belongs to a class of molecules that exhibit a wide range of biological activities, making it a valuable scaffold for drug discovery and biochemical research. The introduction of fluorine atoms into the molecular structure not only enhances its metabolic stability but also influences its interactions with biological targets, thereby opening up numerous possibilities for therapeutic applications.

The< strong>chemical structure of (2E)-4,4,4-trifluorobut-2-enoic acid features a conjugated system consisting of a double bond and three fluorine-substituted carbons. This arrangement imparts distinct electronic and steric properties to the molecule, which can be exploited in the design of novel bioactive compounds. The presence of fluorine atoms also increases the lipophilicity of the compound, facilitating its absorption and distribution within biological systems. These characteristics make it an attractive candidate for further exploration in medicinal chemistry.

In recent years, there has been growing interest in the development of fluorinated compounds as pharmacological agents due to their improved pharmacokinetic profiles and enhanced binding affinity to biological targets. Research has demonstrated that fluorine atoms can modulate the reactivity and selectivity of enzymes and receptors, leading to more potent and selective drug candidates. For instance, studies have shown that< strong>fluorinated carboxylic acids can act as inhibitors or modulators of various metabolic pathways, making them promising candidates for treating metabolic disorders and inflammatory diseases.

One area where (2E)-4,4,4-trifluorobut-2-enoic acid has shown particular promise is in the field of< strong>antimicrobial research. The unique structural features of this compound allow it to interact with bacterial enzymes and cell wall components in ways that conventional antibiotics do not. Recent studies have identified derivatives of this compound that exhibit potent activity against multidrug-resistant bacterial strains, highlighting its potential as a lead compound for the development of novel antibiotics. The ability to target resistant bacteria is crucial in addressing the growing threat of antimicrobial resistance worldwide.

The< strong>synthesis of (2E)-4,4,4-trifluorobut-2-enoic acid involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include the condensation of trifluoroacetic acid derivatives with appropriate aldehydes or ketones followed by dehydration to form the double bond. Advances in synthetic methodologies have enabled researchers to produce this compound more efficiently, making it more accessible for further biological evaluation. The development of scalable synthetic protocols is essential for translating laboratory discoveries into clinical applications.

Beyond its antimicrobial properties, (2E)-4,4,4-trifluorobut-2-enoic acid has also been investigated for its potential in< strong>neurological research. Preliminary studies suggest that this compound can interact with neurotransmitter receptors and ion channels, potentially leading to novel treatments for neurological disorders such as Alzheimer's disease and Parkinson's disease. The ability to modulate neurotransmitter activity is critical in these conditions, where imbalances in neurotransmitter levels contribute significantly to symptoms. Further research is needed to fully elucidate the mechanisms by which this compound affects neural function.

The< strong>pharmacological profile of (2E)-4,4,4-trifluorobut-2-enoic acid is further enhanced by its ability to cross biological membranes due to its lipophilic nature. This property allows it to reach intracellular targets efficiently, which is essential for many therapeutic interventions. Additionally, the stability provided by the fluorine atoms ensures that the compound remains active within biological systems for extended periods. These characteristics make it an excellent candidate for drug development across various therapeutic areas.

In conclusion, (2E)-4,4,4-trifluorobut-2-enoic acid (CAS no 406-94-0) represents a significant advancement in chemical biology with its unique structural features and diverse biological activities. Its potential applications in antimicrobial therapy, neurological disorders, and other areas highlight its importance as a lead compound for drug discovery. As research continues to uncover new ways to harness its properties,< strong>this compound is poised to play a crucial role in the development of next-generation therapeutics.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:406-94-0)(2E)-4,4,4-trifluorobut-2-enoic acid
A1028583
Purity:99%
Quantity:25g
Price ($):182.0
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