Cas no 2121514-69-8 (5-Bromo-1,4-difluoro-2-isopropoxybenzene)
5-Bromo-1,4-difluoro-2-isopropoxybenzene Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-1,4-difluoro-2-isopropoxybenzene
- Benzene, 1-bromo-2,5-difluoro-4-(1-methylethoxy)-
- 1-Bromo-2,5-difluoro-4-isopropoxybenzene
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- Inchi: 1S/C9H9BrF2O/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3
- InChI Key: HZLXOZDSEZJIOK-UHFFFAOYSA-N
- SMILES: BrC1=CC(=C(C=C1F)OC(C)C)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 166
- XLogP3: 3.6
- Topological Polar Surface Area: 9.2
5-Bromo-1,4-difluoro-2-isopropoxybenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Aaron | AR01K6V4-5g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 5g |
$156.00 | 2025-02-12 | |
| Aaron | AR01K6V4-10g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 10g |
$264.00 | 2025-02-12 | |
| A2B Chem LLC | BA20532-5g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 5g |
$239.00 | 2024-04-20 | |
| A2B Chem LLC | BA20532-10g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 10g |
$391.00 | 2024-04-20 | |
| A2B Chem LLC | BA20532-1g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 1g |
$86.00 | 2024-04-20 | |
| A2B Chem LLC | BA20532-25g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 25g |
$760.00 | 2024-04-20 | |
| A2B Chem LLC | BA20532-100g |
5-Bromo-1,4-difluoro-2-isopropoxybenzene |
2121514-69-8 | 95% | 100g |
$2087.00 | 2024-04-20 |
5-Bromo-1,4-difluoro-2-isopropoxybenzene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on 5-Bromo-1,4-difluoro-2-isopropoxybenzene
Introduction to 5-Bromo-1,4-difluoro-2-isopropoxybenzene (CAS No: 2121514-69-8)
5-Bromo-1,4-difluoro-2-isopropoxybenzene, identified by its unique Chemical Abstracts Service (CAS) number 2121514-69-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of aryl ethers, characterized by the presence of a bromine atom and fluorine substituents on a benzene ring, which is further modified by an isopropoxy group. The structural features of 5-Bromo-1,4-difluoro-2-isopropoxybenzene make it a versatile intermediate in synthetic chemistry, particularly in the development of novel bioactive molecules.
The significance of this compound lies in its potential applications across multiple domains, including medicinal chemistry and material science. The bromine and fluorine atoms introduce unique electronic properties to the benzene ring, enhancing its reactivity in various chemical transformations. These attributes have made 5-Bromo-1,4-difluoro-2-isopropoxybenzene a valuable building block for constructing more complex molecular architectures. In recent years, there has been a growing interest in exploring the pharmacological properties of aryl ether derivatives, owing to their demonstrated efficacy in modulating biological pathways.
Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 5-Bromo-1,4-difluoro-2-isopropoxybenzene and biological targets. Studies have indicated that the electron-withdrawing nature of the fluorine substituents can influence the binding affinity of drug candidates to their receptors. This has opened up new avenues for designing molecules with improved pharmacokinetic profiles. Furthermore, the isopropoxy group contributes to the steric environment of the compound, which can be fine-tuned to optimize drug-like properties such as solubility and metabolic stability.
In the realm of agrochemicals, 5-Bromo-1,4-difluoro-2-isopropoxybenzene has been explored as a precursor for developing novel pesticides and herbicides. The structural motifs present in this compound can be incorporated into larger molecules designed to target specific enzymes or receptors involved in plant growth regulation. Such applications are particularly relevant in the context of sustainable agriculture, where there is an increasing demand for environmentally friendly agrochemical solutions.
The synthesis of 5-Bromo-1,4-difluoro-2-isopropoxybenzene involves multi-step organic reactions that require precise control over reaction conditions. Common synthetic routes include halogenation reactions followed by etherification processes. The introduction of fluorine atoms often necessitates specialized reagents and catalysts to achieve high yields and selectivity. Advances in green chemistry have also influenced the synthesis of this compound, with researchers exploring solvent-free reactions and catalytic methods to minimize environmental impact.
One of the most compelling aspects of 5-Bromo-1,4-difluoro-2-isopropoxybenzene is its role as a scaffold for drug discovery. Medicinal chemists have leveraged its structural features to develop inhibitors targeting various therapeutic areas, including oncology and infectious diseases. For instance, derivatives of this compound have shown promise in inhibiting kinases and other enzymes overexpressed in cancer cells. The ability to modify different functional groups while retaining the core 5-Bromo-1,4-difluoro-2-isopropoxybenzene structure allows for rapid diversification of chemical libraries, accelerating the discovery process.
The pharmacological evaluation of 5-Bromo-1,4-difluoro-2-isopropoxybenzene derivatives has revealed intriguing biological activities. Some analogs exhibit potent antiviral properties by interfering with viral replication mechanisms. Others have demonstrated anti-inflammatory effects through modulation of cytokine production pathways. These findings underscore the compound's potential as a lead molecule for developing new therapeutic agents. Additionally, preclinical studies have highlighted its safety profile, suggesting that further development could yield compounds with acceptable tolerability profiles.
From a material science perspective, 5-Bromo-1,4-difluoro-2-isopropoxybenzene has been investigated for its potential applications in advanced materials. The presence of fluorine atoms can enhance thermal stability and chemical resistance in polymer formulations. Researchers are exploring its use as a monomer or intermediate in synthesizing high-performance polymers for use in electronics and coatings industries. The unique electronic properties induced by fluorination also make this compound attractive for developing organic semiconductors and optoelectronic materials.
The future prospects for 5-Bromo-1,4-difluoro-2-isopropoxybenzene are promising, driven by ongoing research efforts aimed at expanding its utility across multiple scientific disciplines. As computational methods continue to improve, virtual screening approaches will enable more efficient identification of promising derivatives for further investigation. Collaborative efforts between academia and industry are likely to accelerate the translation of laboratory findings into tangible applications.
In conclusion,5-Bromo-1,4-difluoro-2-isopropoxybenzene (CAS No: 2121514-69-8) represents a significant advancement in synthetic chemistry with far-reaching implications for pharmaceuticals and materials science. Its unique structural features offer unparalleled flexibility for designing molecules with tailored properties. As research progresses,this compound will undoubtedly continue to play a pivotal role in shaping innovation across multiple scientific domains.
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