Cas no 257892-44-7 (Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate)

Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate is a specialized organic compound featuring a carbamate-protected amine group and a trifluoromethyl-substituted phenoxy moiety. Its structural design combines aromatic and aliphatic components, offering versatility in synthetic applications, particularly in pharmaceutical and agrochemical intermediates. The tert-butyl carbamate (Boc) group provides stability and selective deprotection capabilities, facilitating controlled reactions. The trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in drug discovery. This compound is suited for use in peptide synthesis, medicinal chemistry, and as a building block for bioactive molecules. Its well-defined reactivity and functional groups enable precise modifications in complex synthetic pathways.
Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate structure
257892-44-7 structure
Product Name:Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate
CAS No:257892-44-7
MF:C21H24F3NO3
MW:395.415376663208
CID:4937223
Update Time:2025-06-11

Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate
    • tert-Butyl (3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)carbamate
    • Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate
    • Inchi: 1S/C21H24F3NO3/c1-20(2,3)28-19(26)25-14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)21(22,23)24/h4-12,18H,13-14H2,1-3H3,(H,25,26)
    • InChI Key: VXLBIWFELXCZGX-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)OC(C1C=CC=CC=1)CCNC(=O)OC(C)(C)C)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 476
  • XLogP3: 5.2
  • Topological Polar Surface Area: 47.6

Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate Pricemore >>

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Additional information on Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate

Introduction to Tert-Butyl 3-(4-(trifluoromethyl)phenoxy)-3-phenylpropylcarbamate (CAS No. 257892-44-7)

Tert-Butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate is a sophisticated organic compound that has garnered significant attention in the field of pharmaceutical chemistry and drug discovery. This compound, identified by its Chemical Abstracts Service (CAS) number 257892-44-7, represents a class of molecules that exhibit promising biological activities. Its unique structural features, including the presence of a trifluoromethyl group and a phenylpropyl moiety, make it a valuable candidate for further investigation in medicinal chemistry.

The trifluoromethyl group is a well-known pharmacophore that enhances the metabolic stability and lipophilicity of molecules, making them more suitable for oral administration. This group is frequently incorporated into drug candidates to improve their pharmacokinetic properties. In contrast, the phenylpropyl chain contributes to the compound's solubility and binding affinity to biological targets. The carbamate functional group at the terminal position adds another layer of versatility, allowing for further derivatization and optimization.

In recent years, there has been a surge in research focused on developing novel therapeutic agents with enhanced efficacy and reduced side effects. Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate has emerged as a compound of interest due to its potential applications in various therapeutic areas. For instance, studies have suggested that this molecule may exhibit inhibitory effects on certain enzymes and receptors involved in inflammatory pathways. These findings are particularly relevant given the increasing prevalence of chronic inflammatory diseases worldwide.

The structural design of Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate aligns with current trends in drug development, which emphasize the importance of molecular diversity and target specificity. The combination of the trifluoromethyl group and the phenylpropyl moiety creates a scaffold that can be fine-tuned to achieve optimal interactions with biological targets. This approach has been successfully applied in the development of several FDA-approved drugs, underscoring the importance of rational drug design.

In addition to its potential therapeutic applications, Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate has also attracted attention for its synthetic utility. The presence of multiple functional groups provides chemists with numerous opportunities for structural modification. This flexibility allows researchers to explore different chemical spaces and identify novel analogs with improved properties. Such explorations are crucial for advancing drug discovery efforts and overcoming challenges associated with resistance and toxicity.

The latest research in this area highlights the compound's potential as an intermediate in the synthesis of more complex molecules. For example, studies have demonstrated its utility in generating derivatives with enhanced binding affinity or altered pharmacokinetic profiles. These findings underscore the importance of Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate as a building block in medicinal chemistry. By leveraging its structural features, researchers can develop innovative strategies for creating next-generation therapeutics.

The compound's relevance extends beyond academic research, as it holds promise for industrial applications as well. Pharmaceutical companies are increasingly investing in high-throughput screening technologies to identify promising candidates for further development. Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate, with its unique combination of structural features, is well-positioned to emerge as a key player in these efforts.

In conclusion, Tert-butyl 3-(4-(trifluoromethylphenoxy))-3-phenylpropylcarbamate(CAS No. 257892-44-7) represents a significant advancement in pharmaceutical chemistry. Its structural design, characterized by the presence of a trifluoromethyl group and a phenylpropyl moiety, makes it a versatile and valuable compound for drug discovery efforts. The latest research highlights its potential as an intermediate in synthesizing novel therapeutics and underscores its importance in addressing current challenges in medicine.

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