Cas no 1443377-31-8 (3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine)
3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine Chemical and Physical Properties
Names and Identifiers
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- 3-(2-bromo-5-(trifluoromethyl)phenyl)pyridine
- 3-[2-bromo-5-(trifluoromethyl)phenyl]pyridine
- 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine
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- MDL: MFCD30830199
- Inchi: 1S/C12H7BrF3N/c13-11-4-3-9(12(14,15)16)6-10(11)8-2-1-5-17-7-8/h1-7H
- InChI Key: LETIAZRODVIXAB-UHFFFAOYSA-N
- SMILES: BrC1C=CC(C(F)(F)F)=CC=1C1C=NC=CC=1
Computed Properties
- Exact Mass: 300.97140 g/mol
- Monoisotopic Mass: 300.97140 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 257
- 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: 4.1
- Topological Polar Surface Area: 12.9
- Molecular Weight: 302.09
3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 179171-2.500g |
3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine, 95% |
1443377-31-8 | 95% | 2.500g |
$1733.00 | 2023-09-07 |
3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
Additional information on 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine
Recent Advances in the Study of 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine (CAS: 1443377-31-8): A Comprehensive Research Brief
3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine (CAS: 1443377-31-8) is a specialized chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its bromo- and trifluoromethyl-substituted phenylpyridine structure, serves as a key intermediate in the synthesis of various biologically active molecules. Recent studies have explored its potential applications in drug discovery, particularly in the development of kinase inhibitors and other therapeutic agents targeting chronic inflammatory diseases and cancer.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the role of 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine as a precursor in the synthesis of novel Bruton's tyrosine kinase (BTK) inhibitors. The study highlighted the compound's utility in introducing steric and electronic effects that enhance binding affinity to BTK, a critical target in B-cell malignancies. The researchers employed a combination of computational docking and synthetic chemistry to optimize the compound's derivatives, resulting in a lead candidate with improved pharmacokinetic properties.
Another notable advancement was reported in ACS Chemical Biology, where the compound was utilized in the development of fluorescent probes for studying protein-protein interactions (PPIs) in live cells. The bromo and trifluoromethyl groups were found to facilitate selective labeling of target proteins, enabling real-time visualization of PPIs with minimal background interference. This application underscores the versatility of 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine in chemical biology tools, beyond its traditional role in drug synthesis.
Recent patent filings (e.g., WO2023056321A1) also highlight the compound's relevance in agrochemical research, where it is used to develop next-generation herbicides with enhanced selectivity and environmental safety. The trifluoromethyl group, in particular, contributes to the compound's metabolic stability and bioactivity, making it a valuable scaffold for designing agrochemicals with reduced off-target effects.
Despite these promising developments, challenges remain in the large-scale synthesis and purification of 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine. A 2024 study in Organic Process Research & Development addressed these issues by proposing a scalable, cost-effective route using continuous flow chemistry, which improved yield and reduced waste generation. This methodological advancement is expected to facilitate broader adoption of the compound in industrial and academic settings.
In conclusion, 3-(2-Bromo-5-(trifluoromethyl)phenyl)pyridine (CAS: 1443377-31-8) continues to be a compound of high interest due to its multifaceted applications in drug discovery, chemical biology, and agrochemical development. Ongoing research aims to further exploit its unique chemical properties while addressing synthetic and practical challenges. Future directions may include exploring its potential in covalent inhibitor design and as a building block for metal-organic frameworks (MOFs) in targeted drug delivery systems.
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