Cas no 1208074-75-2 (2-Bromo-3,6-difluorotoluene)
2-Bromo-3,6-difluorotoluene Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-3,6-difluorotoluene
- 2-bromo-1,4-difluoro-3-methylbenzene
- C90884
- SCHEMBL17806030
- AKOS026671546
- 2-Bromo-1,4-difluoro-3-methyl-benzene
- CS-0194258
- 1208074-75-2
- MFCD12922624
- XH1040
- PS-10222
- DS-000923
-
- MDL: MFCD12922624
- Inchi: 1S/C7H5BrF2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3
- InChI Key: AAHSKQLPLMAVDC-UHFFFAOYSA-N
- SMILES: BrC1C(=CC=C(C=1C)F)F
Computed Properties
- Exact Mass: 205.95427g/mol
- Monoisotopic Mass: 205.95427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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: 3.2
- Topological Polar Surface Area: 0
2-Bromo-3,6-difluorotoluene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 043166-250mg |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 250mg |
£146.00 | 2022-02-28 | |
| Fluorochem | 043166-1g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 1g |
£291.00 | 2022-02-28 | |
| Fluorochem | 043166-5g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 5g |
£872.00 | 2022-02-28 | |
| Fluorochem | 043166-25g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 25g |
£2485.00 | 2022-02-28 | |
| Apollo Scientific | PC501951-250mg |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 250mg |
£47.00 | 2023-09-02 | |
| Apollo Scientific | PC501951-1g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 1g |
£77.00 | 2023-09-02 | |
| Apollo Scientific | PC501951-5g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 95% | 5g |
£277.00 | 2023-09-02 | |
| abcr | AB517037-1 g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 1g |
€369.70 | 2022-06-09 | ||
| abcr | AB517037-5 g |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 5g |
€1,195.50 | 2022-06-09 | ||
| Alichem | A013022914-250mg |
2-Bromo-3,6-difluorotoluene |
1208074-75-2 | 97% | 250mg |
$475.20 | 2023-09-04 |
2-Bromo-3,6-difluorotoluene Suppliers
2-Bromo-3,6-difluorotoluene Related Literature
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on 2-Bromo-3,6-difluorotoluene
Chemical Profile of 2-Bromo-3,6-difluorotoluene (CAS No: 1208074-75-2)
2-Bromo-3,6-difluorotoluene, with the chemical formula C?H?BrF?, is a fluorinated aromatic compound that has garnered significant attention in the field of organic synthesis and pharmaceutical chemistry. This compound belongs to the class of halogenated aromatics, which are widely utilized as intermediates in the synthesis of various bioactive molecules. The presence of both bromine and fluorine substituents on a toluene backbone imparts unique electronic and steric properties, making it a valuable building block for medicinal chemistry applications.
The CAS No 1208074-75-2 uniquely identifies this compound in scientific literature and databases, facilitating its accurate classification and retrieval. As a halogenated aromatic, 2-Bromo-3,6-difluorotoluene exhibits distinct reactivity patterns that are exploited in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are pivotal in constructing complex molecular architectures, which are often required in the development of novel therapeutic agents.
In recent years, the demand for fluorinated compounds in drug discovery has surged due to their enhanced metabolic stability, improved binding affinity, and altered pharmacokinetic profiles. The fluorine atoms in 2-Bromo-3,6-difluorotoluene contribute to these desirable properties by influencing electron distribution and lipophilicity. This has led to its incorporation into numerous research projects aimed at developing small-molecule inhibitors and other pharmacologically relevant compounds.
One of the most compelling applications of 2-Bromo-3,6-difluorotoluene is in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is often associated with various diseases, including cancer. By serving as a key intermediate, this compound enables the construction of highly specific kinase inhibitors with potential therapeutic benefits. For instance, recent studies have demonstrated its utility in generating analogs that target tyrosine kinases, which are implicated in tumor growth and progression.
Another emerging area where 2-Bromo-3,6-difluorotoluene finds utility is in the development of antiviral agents. The unique structural features of this compound allow for the design of molecules that can interact with viral enzymes or receptors, thereby inhibiting viral replication. Preliminary research indicates that derivatives of 2-Bromo-3,6-difluorotoluene exhibit promising antiviral activity against certain RNA viruses by disrupting critical viral life cycles.
The synthesis of 2-Bromo-3,6-difluorotoluene typically involves fluorination and bromination reactions on a toluene precursor. Advanced synthetic methodologies, such as electrophilic aromatic substitution and metal-catalyzed cross-coupling reactions, are employed to achieve high yields and purity. These synthetic strategies not only highlight the versatility of 2-Bromo-3,6-difluorotoluene as an intermediate but also underscore its importance in modern synthetic organic chemistry.
In conclusion, 2-Bromo-3,6-difluorotoluene (CAS No: 1208074-75-2) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural attributes make it an indispensable tool for constructing bioactive molecules across various therapeutic domains. As research continues to uncover new applications for halogenated aromatics like this one, its role in drug discovery is expected to expand further.
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