Cas no 1171245-63-8 (Ethyl 4-amino-2-(trifluoromethyl)benzoate)

Ethyl 4-amino-2-(trifluoromethyl)benzoate structure
1171245-63-8 structure
Product Name:Ethyl 4-amino-2-(trifluoromethyl)benzoate
CAS No:1171245-63-8
MF:C10H10F3NO2
MW:233.187113285065
MDL:MFCD14698165
CID:2108940
PubChem ID:46311261
Update Time:2025-07-20

Ethyl 4-amino-2-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-amino-2-(trifluoromethyl)benzoate
    • AX8271574
    • D83501
    • MFCD14698165
    • DTXSID001273363
    • 1171245-63-8
    • BS-14429
    • CS-0151832
    • ethyl4-amino-2-(trifluoromethyl)benzoate
    • EN300-6511143
    • AKOS024438563
    • DA-33922
    • Ethyl 4-amino-2-(trifluoromethyl)benzoate
    • MDL: MFCD14698165
    • Inchi: 1S/C10H10F3NO2/c1-2-16-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5H,2,14H2,1H3
    • InChI Key: WJUSTBDZBSDNOJ-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C=CC=1C(=O)OCC)N)(F)F

Computed Properties

  • Exact Mass: 233.06636305g/mol
  • Monoisotopic Mass: 233.06636305g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 255
  • 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
  • Topological Polar Surface Area: 52.3
  • XLogP3: 2.3

Ethyl 4-amino-2-(trifluoromethyl)benzoate Pricemore >>

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Additional information on Ethyl 4-amino-2-(trifluoromethyl)benzoate

Ethyl 4-amino-2-(trifluoromethyl)benzoate (CAS No. 1171245-63-8): A Comprehensive Overview

Ethyl 4-amino-2-(trifluoromethyl)benzoate, identified by its CAS number 1171245-63-8, is a significant compound in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoate derivatives, characterized by its unique structural and functional properties. The presence of both amino and trifluoromethyl substituents makes it a versatile intermediate in the synthesis of various bioactive molecules.

The< strong>Ethyl 4-amino-2-(trifluoromethyl)benzoate molecule exhibits a high degree of reactivity due to its functional groups, which include an amino group at the fourth position and a trifluoromethyl group at the second position on the benzene ring. These substituents contribute to its potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.

In recent years, there has been a growing interest in benzoate derivatives due to their broad spectrum of biological activities. The< strong>4-amino-2-(trifluoromethyl)benzoate moiety has been extensively studied for its role in modulating various biological pathways. For instance, studies have shown that this compound can interact with enzymes and receptors, leading to potential therapeutic effects in conditions such as inflammation, pain, and neurodegenerative diseases.

The< strong>trifluoromethyl group is particularly noteworthy for its ability to enhance the metabolic stability and binding affinity of drug candidates. This property is crucial in pharmaceutical design, as it helps to prolong the half-life of drugs and improve their efficacy. The< strong>amino group, on the other hand, provides a site for further chemical modifications, allowing for the synthesis of more complex derivatives with tailored biological activities.

Recent research has highlighted the< strong>Ethyl 4-amino-2-(trifluoromethyl)benzoate as a key intermediate in the synthesis of kinase inhibitors. Kinases are enzymes that play a critical role in cell signaling pathways, and their dysregulation is associated with various diseases, including cancer. By targeting kinases with specific inhibitors, it is possible to develop treatments that can modulate these pathways effectively.

The< strong>CAS No. 1171245-63-8 compound has also been explored in the context of antimicrobial agents. The combination of the amino and trifluoromethyl groups contributes to its ability to disrupt bacterial cell membranes and inhibit bacterial growth. This makes it a promising candidate for developing new antibiotics to combat drug-resistant bacteria.

In addition to its pharmaceutical applications, Ethyl 4-amino-2-(trifluoromethyl)benzoate has shown potential in materials science. Its unique electronic properties make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic cells. The< strong>trifluoromethyl group enhances electron transport properties, while the< strong>amino group allows for further functionalization to improve device performance.

The synthesis of Ethyl 4-amino-2-(trifluoromethyl)benzoate typically involves multi-step reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include nucleophilic aromatic substitution reactions followed by esterification. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to improve efficiency and selectivity.

In conclusion, Ethyl 4-amino-2-(trifluoromethyl)benzoate (CAS No. 1171245-63-8) is a versatile compound with significant potential in pharmaceutical and materials science applications. Its unique structural features make it an invaluable intermediate for synthesizing bioactive molecules and advanced materials. Continued research into this compound will likely uncover even more innovative uses and applications in the future.

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