Cas no 1033202-54-8 (1-(2-Bromo-5-fluoropyridin-3-yl)ethanone)
1-(2-Bromo-5-fluoropyridin-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(2-Bromo-5-fluoropyridin-3-yl)ethan-1-one
- AKOS015967565
- 1033202-54-8
- 1-(2-BROMO-5-FLUORO(PYRIDIN-3-YL))ETHANONE
- DTXSID10692910
- 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone
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- MDL: MFCD11040667
- Inchi: 1S/C7H5BrFNO/c1-4(11)6-2-5(9)3-10-7(6)8/h2-3H,1H3
- InChI Key: IZNZGABMTQWKFJ-UHFFFAOYSA-N
- SMILES: BrC1C(C(C)=O)=CC(=CN=1)F
Computed Properties
- Exact Mass: 216.95385g/mol
- Monoisotopic Mass: 216.95385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 165
- 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
- Molecular Weight: 218.02g/mol
- XLogP3: 1.7
- Topological Polar Surface Area: 30?2
1-(2-Bromo-5-fluoropyridin-3-yl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D634079-5g |
1-(2-bromo-5-fluoropyridin-3-yl)ethanone |
1033202-54-8 | 95% | 5g |
$1950 | 2024-05-25 | |
| eNovation Chemicals LLC | D634079-5g |
1-(2-bromo-5-fluoropyridin-3-yl)ethanone |
1033202-54-8 | 95% | 5g |
$1950 | 2025-02-21 | |
| eNovation Chemicals LLC | D634079-5g |
1-(2-bromo-5-fluoropyridin-3-yl)ethanone |
1033202-54-8 | 95% | 5g |
$1950 | 2025-02-28 |
1-(2-Bromo-5-fluoropyridin-3-yl)ethanone Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone
Introduction to 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone (CAS No. 1033202-54-8)
1-(2-Bromo-5-fluoropyridin-3-yl)ethanone, identified by its Chemical Abstracts Service (CAS) number 1033202-54-8, is a significant compound in the realm of pharmaceutical and agrochemical research. This heterocyclic ketone features a pyridine core substituted with bromine and fluorine atoms, making it a versatile intermediate in the synthesis of various biologically active molecules. The structural motif of this compound has garnered attention due to its potential in modulating biological pathways, particularly in the development of novel therapeutic agents.
The pyridine ring in 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone serves as a privileged scaffold in medicinal chemistry, enabling diverse functionalization strategies. The presence of both bromo and fluoro substituents introduces unique electronic and steric properties, which can be exploited to fine-tune the pharmacokinetic and pharmacodynamic profiles of derived compounds. Such structural features are particularly valuable in the design of small-molecule inhibitors targeting enzymes and receptors involved in disease pathways.
Recent advancements in computational chemistry and molecular modeling have highlighted the significance of 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone as a key building block. Studies have demonstrated that the combination of bromine and fluorine atoms enhances binding affinity to biological targets by improving hydrophobic interactions and reducing metabolic liability. This has spurred interest in its application in drug discovery programs aimed at addressing unmet medical needs.
In the context of oncology research, 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone has been explored as a precursor for developing kinase inhibitors. Kinases play a crucial role in cell signaling pathways, and their dysregulation is often associated with cancer progression. The pyridine-based scaffold allows for selective inhibition of specific kinases by leveraging the bromo and fluoro substituents to optimize binding interactions. Preliminary studies have shown promising results in vitro, suggesting potential therapeutic efficacy against certain cancer types.
Beyond oncology, this compound has also been investigated for its antimicrobial properties. The structural features of 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone contribute to its ability to disrupt bacterial cell wall synthesis and interfere with essential metabolic processes. Researchers are exploring derivatives of this compound as novel antibiotics to combat resistant bacterial strains, highlighting its versatility in addressing infectious diseases.
The agrochemical industry has also recognized the potential of 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone as a precursor for developing advanced crop protection agents. Its structural framework allows for the synthesis of herbicides and insecticides with improved efficacy and environmental safety. By incorporating this compound into novel formulations, agricultural scientists aim to enhance crop yields while minimizing ecological impact.
The synthetic methodologies for preparing 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone have been refined over the years, enabling scalable production for industrial applications. Modern synthetic routes often involve multi-step reactions starting from readily available pyridine derivatives, employing transition metal catalysis to achieve high yields and selectivity. These advancements have made it feasible to produce this compound in sufficient quantities for both research and commercial purposes.
Future directions in the study of 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone include exploring its role in neurodegenerative diseases and inflammatory conditions. The ability of pyridine-based compounds to modulate neurotransmitter systems makes them attractive candidates for treating disorders such as Alzheimer's disease and Parkinson's disease. Additionally, derivatives of this compound may offer novel approaches to managing chronic inflammatory conditions by targeting specific inflammatory pathways.
In conclusion, 1-(2-Bromo-5-fluoropyridin-3-yl)ethanone (CAS No. 1033202-54-8) is a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and biotechnology. Its unique structural features, combined with recent advances in synthetic chemistry and drug discovery, position it as a valuable tool for developing next-generation therapeutics. As research continues to uncover new biological functions and synthetic possibilities, the significance of this compound is expected to grow further.
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