Cas no 1806324-99-1 (3,5-Dibromo-2-(difluoromethoxy)phenol)
3,5-Dibromo-2-(difluoromethoxy)phenol Chemical and Physical Properties
Names and Identifiers
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- 3,5-Dibromo-2-(difluoromethoxy)phenol
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- Inchi: 1S/C7H4Br2F2O2/c8-3-1-4(9)6(5(12)2-3)13-7(10)11/h1-2,7,12H
- InChI Key: LVMIOXJBVQYWGQ-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC(=C1OC(F)F)O)Br
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 171
- Topological Polar Surface Area: 29.5
3,5-Dibromo-2-(difluoromethoxy)phenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013020274-250mg |
3,5-Dibromo-2-(difluoromethoxy)phenol |
1806324-99-1 | 97% | 250mg |
489.60 USD | 2021-06-24 | |
| Alichem | A013020274-500mg |
3,5-Dibromo-2-(difluoromethoxy)phenol |
1806324-99-1 | 97% | 500mg |
847.60 USD | 2021-06-24 | |
| Alichem | A013020274-1g |
3,5-Dibromo-2-(difluoromethoxy)phenol |
1806324-99-1 | 97% | 1g |
1,564.50 USD | 2021-06-24 |
3,5-Dibromo-2-(difluoromethoxy)phenol Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on 3,5-Dibromo-2-(difluoromethoxy)phenol
Introduction to 3,5-Dibromo-2-(difluoromethoxy)phenol (CAS No. 1806324-99-1)
3,5-Dibromo-2-(difluoromethoxy)phenol, identified by the Chemical Abstracts Service Number (CAS No.) 1806324-99-1, is a specialized organic compound that has garnered significant attention in the field of medicinal chemistry and pharmaceutical research. This compound belongs to the class of brominated and fluorinated phenols, which are widely recognized for their diverse biological activities and potential applications in drug development. The structural features of this molecule, particularly the presence of bromine and fluorine substituents, contribute to its unique chemical properties and reactivity, making it a valuable scaffold for synthetic modifications and lead optimization.
The bromine atoms at the 3rd and 5th positions on the aromatic ring, along with the difluoromethoxy group at the 2nd position, impart distinct electronic and steric effects that influence its interactions with biological targets. These substituents enhance the compound's lipophilicity and metabolic stability, which are critical factors in drug design. Furthermore, the difluoromethoxy group is particularly noteworthy as it is a common pharmacophore in many bioactive molecules, known to improve binding affinity and pharmacokinetic profiles.
In recent years, there has been growing interest in halogenated phenols due to their broad spectrum of biological activities. Studies have demonstrated that compounds containing bromine and fluorine substituents often exhibit potent antimicrobial, anti-inflammatory, and anticancer properties. For instance, derivatives of brominated phenols have been shown to inhibit enzymes involved in cancer cell proliferation and survival pathways. Similarly, fluorinated phenols are recognized for their ability to modulate receptor binding and enhance drug delivery systems.
The synthesis of 3,5-Dibromo-2-(difluoromethoxy)phenol involves multi-step organic transformations that require precise control over reaction conditions to achieve high yields and purity. Common synthetic routes include bromination of a precursor phenol followed by selective fluorination at the desired position. The use of advanced catalytic systems and protective groups ensures that the reaction proceeds efficiently without unintended side products. This compound serves as a versatile building block for further chemical modifications, allowing researchers to explore novel analogs with tailored biological activities.
One of the most compelling aspects of 3,5-Dibromo-2-(difluoromethoxy)phenol is its potential in medicinal chemistry research. The combination of bromine and fluorine substituents provides multiple points for interaction with biological targets, making it an attractive candidate for structure-activity relationship (SAR) studies. Researchers have utilized this compound as a starting material to develop new drugs targeting various diseases, including infectious disorders and chronic conditions. The structural flexibility offered by this scaffold allows for the introduction of additional functional groups that can fine-tune pharmacological properties such as solubility, bioavailability, and target specificity.
Recent advancements in computational chemistry have further enhanced the utility of 3,5-Dibromo-2-(difluoromethoxy)phenol in drug discovery. Molecular modeling techniques enable researchers to predict how this compound interacts with biological targets at the atomic level. By integrating experimental data with computational insights, scientists can optimize its structure to improve efficacy while minimizing off-target effects. This approach has been instrumental in identifying promising candidates for clinical development.
The pharmaceutical industry has also shown interest in halogenated phenols due to their favorable pharmacokinetic profiles. The presence of bromine atoms can enhance metabolic stability by preventing rapid degradation by enzymes such as cytochrome P450 oxidases. Similarly, fluorine substituents are known to improve binding affinity by increasing hydrophobic interactions with biological targets. These properties make 3,5-Dibromo-2-(difluoromethoxy)phenol a valuable asset in developing next-generation therapeutics.
In conclusion,3,5-Dibromo-2-(difluoromethoxy)phenol (CAS No. 1806324-99-1) represents a significant advancement in medicinal chemistry research. Its unique structural features offer numerous opportunities for synthetic innovation and therapeutic development. As research continues to uncover new applications for halogenated phenols,this compound is poised to play a crucial role in addressing unmet medical needs across various therapeutic areas.
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