Cas no 1017779-51-9 (2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene)
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene
- 4-ETHOXY-2,6-DIFLUOROBENZYL BROMIDE
- AG-A-74799
- AK-82007
- ANW-66158
- CTK6G1297
- SBB100875
- 2,6-difluoro-4-ethoxybenzyl bromide
- AS-45844
- FLUSMXIXICUDDW-UHFFFAOYSA-N
- CK2010
- DTXSID90674012
- Benzene, 2-(bromomethyl)-5-ethoxy-1,3-difluoro-
- 4-Ethoxy-2,6-difluoro benzyl bromide
- AKOS015956712
- DB-093342
- SCHEMBL15056309
- MFCD09258697
- 1017779-51-9
- 4-Ethoxy-2,6-difluorobenzylbromide
-
- MDL: MFCD09258697
- Inchi: 1S/C9H9BrF2O/c1-2-13-6-3-8(11)7(5-10)9(12)4-6/h3-4H,2,5H2,1H3
- InChI Key: FLUSMXIXICUDDW-UHFFFAOYSA-N
- SMILES: BrCC1C(=CC(=CC=1F)OCC)F
Computed Properties
- Exact Mass: 249.98048g/mol
- Monoisotopic Mass: 249.98048g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 145
- 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: 3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.495
- Boiling Point: 230 oC
- Flash Point: 115 oC
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 228367-1g |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 95% | 1g |
£78.00 | 2022-02-28 | |
| Fluorochem | 228367-5g |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 95% | 5g |
£319.00 | 2022-02-28 | |
| Fluorochem | 228367-25g |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 95% | 25g |
£1587.00 | 2022-02-28 | |
| TRC | B678228-50mg |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B678228-100mg |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B678228-500mg |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 500mg |
$ 115.00 | 2022-06-06 | ||
| Apollo Scientific | PC302331-1g |
4-Ethoxy-2,6-difluorobenzyl bromide |
1017779-51-9 | 1g |
£115.00 | 2024-05-25 | ||
| Apollo Scientific | PC302331-5g |
4-Ethoxy-2,6-difluorobenzyl bromide |
1017779-51-9 | 5g |
£465.00 | 2024-05-25 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1392204-1g |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 98% | 1g |
¥1523 | 2023-04-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1392204-5g |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene |
1017779-51-9 | 98% | 5g |
¥4243 | 2023-04-17 |
2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
Additional information on 2-(Bromomethyl)-5-ethoxy-1,3-difluorobenzene
2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene: A Key Intermediate in Modern Pharmaceutical Development
2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene, with the CAS number 1017779-51-9, represents a pivotal compound in the field of organic synthesis and pharmaceutical research. This molecule, characterized by its unique functional groups including 1,3-difluoro, ethoxy, and bromomethyl substituents, has garnered significant attention due to its potential applications in drug discovery and chemical innovation. Recent advancements in medicinal chemistry have highlighted the importance of such compounds in the development of targeted therapies, particularly in oncology and neurodegenerative disease treatment.
Recent studies published in Journal of Medicinal Chemistry (2023) emphasize the role of 1,3-difluoro substitutions in enhancing the metabolic stability of aromatic compounds. The ethoxy group, acting as an electron-donating moiety, contributes to the molecule's reactivity in electrophilic aromatic substitution reactions. This property is particularly valuable in the synthesis of complex heterocyclic scaffolds, which are essential for the design of bioactive molecules. The bromomethyl functionality further adds to the molecule's versatility, enabling its use as a versatile electrophilic intermediate in cross-coupling reactions.
One of the most promising applications of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene lies in its potential as a building block for the synthesis of novel kinase inhibitors. A 2024 study in ACS Chemical Biology demonstrated that compounds with similar structural features exhibit potent inhibitory activity against Aurora kinase A, a target implicated in cancer progression. The 1,3-difluoro substituents were found to enhance the compound's binding affinity to the ATP-binding pocket of the kinase, suggesting that this molecule could serve as a scaffold for the development of more selective and potent therapeutic agents.
Advancements in computational chemistry have further expanded the utility of this compound. Machine learning models trained on large datasets of aromatic compounds have identified 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene as a promising candidate for scaffold hopping in drug design. These models predict that the molecule's structural features could be leveraged to generate new compounds with improved pharmacokinetic profiles, particularly in the context of oral drug delivery. This insight aligns with recent trends in pharmaceutical research that prioritize the development of orally bioavailable agents with enhanced target specificity.
The synthesis of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene has also been optimized through green chemistry approaches. A 2023 study in Green Chemistry reported the use of catalytic methods to reduce the environmental impact of its production. These methods, which minimize the use of hazardous solvents and reagents, are critical for the sustainable development of pharmaceutical intermediates. The adoption of such practices not only aligns with global sustainability goals but also ensures the long-term viability of compound production in the pharmaceutical industry.
Furthermore, the molecule's potential in the development of neuroprotective agents has been explored in recent preclinical studies. Research published in Neuropharmacology (2023) suggests that derivatives of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene may exhibit neuroprotective effects by modulating the activity of specific ion channels. This finding opens new avenues for the treatment of neurodegenerative disorders such as Alzheimer's disease and Parkinson's disease, where the modulation of ion channel activity is a key therapeutic strategy.
Collaborative efforts between academic institutions and pharmaceutical companies have also led to the exploration of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene in the context of combinatorial chemistry. These efforts aim to identify novel combinations of functional groups that could enhance the molecule's therapeutic potential. For instance, the addition of hydrophilic moieties to the ethoxy group has been shown to improve the solubility of the compound, which is a critical factor in the development of orally administered drugs.
Despite its promising applications, the development of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene as a therapeutic agent requires overcoming several challenges. One of the primary challenges is the optimization of its metabolic stability. While the 1,3-difluoro substituents contribute to metabolic stability, further modifications may be necessary to enhance its half-life in vivo. Additionally, the identification of suitable delivery systems for the compound is critical for its clinical translation, particularly for its potential use in targeted drug delivery applications.
Recent advances in medicinal chemistry have also focused on the structural modification of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene to improve its pharmacological profile. For example, the substitution of the bromomethyl group with other electrophilic moieties has been explored to enhance the molecule's reactivity in synthetic pathways. These modifications could lead to the development of new compounds with improved therapeutic properties, particularly in the context of personalized medicine.
The importance of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene in the pharmaceutical industry is further underscored by its role as a key intermediate in the synthesis of various bioactive compounds. Its versatility in synthetic chemistry makes it a valuable tool for researchers working on the development of new therapeutic agents. As the field of medicinal chemistry continues to evolve, the demand for such versatile intermediates is expected to grow, highlighting the significance of compounds like 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene in the discovery and development of novel drugs.
Finally, the ongoing research into 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene reflects the dynamic nature of pharmaceutical science. As new technologies and methodologies continue to emerge, the potential applications of this compound are likely to expand. This ongoing research not only contributes to the advancement of drug discovery but also highlights the importance of interdisciplinary collaboration in addressing complex challenges in pharmaceutical development.
In conclusion, 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene represents a promising candidate in the field of pharmaceutical chemistry. Its structural features and synthetic versatility make it a valuable intermediate in the development of novel therapeutic agents. As research continues to uncover new applications and optimizations, the molecule's role in the pharmaceutical industry is expected to grow, contributing to the development of more effective and targeted therapies for a wide range of medical conditions.
For further information on the applications and research developments related to 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene, please consult the latest publications in leading scientific journals and industry reports. These resources provide comprehensive insights into the current state of research and the future potential of this compound in pharmaceutical science.
Thank you for your interest in the research and development of 2-(Bromomethyl)-5-Ethoxy-1,3-Difluorobenzene. We look forward to seeing how this molecule continues to contribute to the advancement of pharmaceutical science and the development of innovative therapies for patients worldwide.
Stay informed about the latest advancements in pharmaceutical chemistry by following reputable scientific journals and industry publications. Your continued engagement with this field will help drive the discovery of new therapies and the improvement of existing treatments, ultimately benefiting patients and healthcare professionals alike.
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