Cas no 1261947-57-2 (5-(3-Ethoxyphenyl)-3-bromophenol)
5-(3-Ethoxyphenyl)-3-bromophenol Chemical and Physical Properties
Names and Identifiers
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- 1261947-57-2
- 5-(3-ETHOXYPHENYL)-3-BROMOPHENOL
- MFCD18316082
- DTXSID80686407
- 5-(3-Ethoxyphenyl)-3-bromophenol, 95%
- 5-Bromo-3'-ethoxy[1,1'-biphenyl]-3-ol
- 5-(3-Ethoxyphenyl)-3-bromophenol
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- MDL: MFCD18316082
- Inchi: 1S/C14H13BrO2/c1-2-17-14-5-3-4-10(8-14)11-6-12(15)9-13(16)7-11/h3-9,16H,2H2,1H3
- InChI Key: OWKSIQOFTVJOJK-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1)C1C=CC=C(C=1)OCC)O
Computed Properties
- Exact Mass: 292.00989Da
- Monoisotopic Mass: 292.00989Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 234
- 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
- XLogP3: 4.2
- Topological Polar Surface Area: 29.5?2
5-(3-Ethoxyphenyl)-3-bromophenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB322288-5 g |
5-(3-Ethoxyphenyl)-3-bromophenol, 95%; . |
1261947-57-2 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB322288-5g |
5-(3-Ethoxyphenyl)-3-bromophenol, 95%; . |
1261947-57-2 | 95% | 5g |
€1159.00 | 2025-04-21 |
5-(3-Ethoxyphenyl)-3-bromophenol Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
Additional information on 5-(3-Ethoxyphenyl)-3-bromophenol
Introduction to 5-(3-Ethoxyphenyl)-3-bromophenol (CAS No. 1261947-57-2)
5-(3-Ethoxyphenyl)-3-bromophenol, identified by its unique Chemical Abstracts Service (CAS) number 1261947-57-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, featuring a brominated aromatic ring coupled with an ethoxy-substituted phenyl group, exhibits a structural framework that is highly conducive to further chemical modifications and functionalization. Its molecular structure not only makes it a valuable intermediate in synthetic chemistry but also opens up possibilities for its exploration in drug discovery and development.
The relevance of 5-(3-Ethoxyphenyl)-3-bromophenol is underscored by its potential applications in the synthesis of biologically active molecules. The presence of both bromine and ethoxy groups provides distinct handles for further chemical transformations, such as cross-coupling reactions, which are pivotal in constructing complex molecular architectures. These reactions are often employed to link this compound with other pharmacophores, thereby creating novel entities with therapeutic potential.
In recent years, the pharmaceutical industry has witnessed a surge in the demand for structurally diverse compounds to address various therapeutic challenges. 5-(3-Ethoxyphenyl)-3-bromophenol stands out as a versatile building block that can be tailored to fit multiple drug design paradigms. Its incorporation into libraries of compounds has been explored in high-throughput screening campaigns aimed at identifying molecules with desirable pharmacological properties.
One of the most compelling aspects of 5-(3-Ethoxyphenyl)-3-bromophenol is its role in the development of novel therapeutic agents. Researchers have leveraged its scaffold to design molecules with potential applications in oncology, inflammation, and infectious diseases. The bromine atom, in particular, serves as an excellent site for palladium-catalyzed cross-coupling reactions, enabling the introduction of aryl or heteroaryl groups that can modulate biological activity.
The ethoxy group on the phenyl ring adds another layer of functional diversity, allowing for further derivatization through nucleophilic aromatic substitution or ether cleavage reactions. These modifications can lead to the generation of analogs with enhanced solubility, bioavailability, or target specificity. The combination of these structural features makes 5-(3-Ethoxyphenyl)-3-bromophenol a compelling candidate for medicinal chemists seeking to develop next-generation therapeutics.
Recent advancements in synthetic methodologies have further enhanced the utility of 5-(3-Ethoxyphenyl)-3-bromophenol. For instance, transition-metal-catalyzed reactions have enabled more efficient and selective transformations, reducing the need for harsh conditions or extensive purification steps. These improvements have not only streamlined the synthesis of this compound but also facilitated its integration into more complex synthetic pathways.
The pharmacological exploration of derivatives derived from 5-(3-Ethoxyphenyl)-3-bromophenol has yielded promising results. Studies have demonstrated that certain analogs exhibit inhibitory activity against enzymes implicated in disease pathogenesis. For example, modifications at the bromine or ethoxy positions have been shown to alter binding affinity and selectivity towards targets such as kinases or transcription factors. Such findings highlight the importance of structural optimization in maximizing therapeutic efficacy.
Moreover, computational chemistry approaches have been employed to predict the binding modes and interactions of 5-(3-Ethoxyphenyl)-3-bromophenol derivatives with biological targets. These simulations provide valuable insights into how structural features influence molecular recognition processes, guiding the design of more potent and selective drug candidates. The integration of experimental data with computational models has become an indispensable tool in modern drug discovery.
The synthesis and characterization of 5-(3-Ethoxyphenyl)-3-bromophenol also contribute to our understanding of fundamental chemical principles. Its reactivity patterns and synthetic versatility serve as a benchmark for evaluating new methodologies or catalysts. Such studies not only advance synthetic chemistry but also lay the groundwork for future innovations in medicinal chemistry.
In conclusion, 5-(3-Ethoxyphenyl)-3-bromophenol (CAS No. 1261947-57-2) represents a significant asset in pharmaceutical research due to its structural versatility and functional adaptability. Its role as a key intermediate and building block underscores its importance in developing novel therapeutic agents across multiple disease areas. As synthetic methodologies continue to evolve and our understanding of biological targets deepens, compounds like 5-(3-Ethoxyphenyl)-3-bromophenol will undoubtedly remain at the forefront of drug discovery efforts.
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