Cas no 1242259-73-9 (1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene)
1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene Chemical and Physical Properties
Names and Identifiers
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- 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene
- AKOS016016604
- 1242259-73-9
- MFCD11847185
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- MDL: MFCD11847185
- Inchi: 1S/C7H2BrF5O/c8-4-1-3(9)2-5(10)6(4)14-7(11,12)13/h1-2H
- InChI Key: DYNIBANXICFZQA-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1OC(F)(F)F)F)F
Computed Properties
- Exact Mass: 275.92092g/mol
- Monoisotopic Mass: 275.92092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 197
- 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
- Topological Polar Surface Area: 9.2?2
1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1656131-5g |
1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene |
1242259-73-9 | 98% | 5g |
¥16495.00 | 2024-08-09 |
1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
Additional information on 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene
Introduction to 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene (CAS No. 1242259-73-9) and Its Applications in Modern Chemical Research
1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene, identified by its CAS number 1242259-73-9, is a fluorinated aromatic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound belongs to a class of molecules characterized by the presence of multiple fluorine atoms, which confer unique electronic and steric properties, making it a valuable scaffold for the development of novel bioactive agents. The structural features of this molecule, particularly the combination of bromine and fluoro substituents, make it a versatile intermediate in synthetic chemistry, enabling access to a wide range of derivatives with potential therapeutic applications.
The bromine atom in 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene serves as a reactive handle for further functionalization through cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig, and Negishi couplings. These reactions are pivotal in constructing complex molecular architectures, which are often required for achieving high affinity and selectivity in drug design. The difluoro and trifluoromethoxy substituents introduce electron-withdrawing effects that modulate the reactivity of the aromatic ring, enhancing its utility in medicinal chemistry.
In recent years, there has been a surge in the use of fluorinated compounds in drug discovery due to their ability to improve pharmacokinetic properties such as metabolic stability, lipophilicity, and binding affinity. For instance, studies have demonstrated that fluorine atoms can enhance the binding affinity of small-molecule inhibitors to their target proteins by increasing hydrophobic interactions and reducing solvation energy. The compound 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene exemplifies this trend, as its fluorinated backbone provides a favorable environment for designing molecules with improved pharmacological profiles.
One of the most compelling applications of 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene is in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways and are frequently targeted in oncology and inflammatory diseases. The presence of both bromine and fluoro groups allows for the synthesis of highly potent kinase inhibitors by selectively modifying specific positions on the aromatic ring. Recent studies have shown that derivatives of this compound exhibit inhibitory activity against various kinases, including those implicated in cancer progression. The ability to fine-tune the structure through halogenation strategies has led to the discovery of lead compounds with promising preclinical results.
Another area where 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene has shown promise is in the design of antimicrobial agents. Antibiotic resistance poses a significant global health challenge, necessitating the development of novel therapeutic strategies. Fluorinated aromatic compounds have been reported to exhibit enhanced antibacterial and antifungal properties due to their ability to disrupt microbial cell membranes and inhibit vital metabolic pathways. The structural motifs present in 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene make it an attractive building block for generating novel antimicrobial agents with improved efficacy against resistant strains.
The synthetic utility of 1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene extends beyond pharmaceutical applications. It serves as a key intermediate in materials science, particularly in the synthesis of organic electronic materials such as OLEDs (organic light-emitting diodes) and semiconductors. The electron-withdrawing nature of the fluoro substituents enhances charge transport properties, making these compounds valuable for developing advanced optoelectronic devices.
In conclusion,1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene (CAS No. 1242259-73-9) is a multifaceted compound with broad applications across multiple disciplines. Its unique structural features make it an indispensable tool for synthetic chemists and biologists seeking to develop novel bioactive molecules. As research continues to uncover new therapeutic targets and materials science innovations,1-Bromo-3,5-difluoro-2-(trifluoromethoxy)benzene is poised to remain at the forefront of chemical research, driving advancements that benefit human health and technological progress.
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