Cas no 2385678-13-5 (3-Fluoro-2-isobutylpyridine)
3-Fluoro-2-isobutylpyridine Chemical and Physical Properties
Names and Identifiers
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- 3-Fluoro-2-isobutylpyridine
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- Inchi: 1S/C9H12FN/c1-7(2)6-9-8(10)4-3-5-11-9/h3-5,7H,6H2,1-2H3
- InChI Key: RVVCHRFRTLXRMR-UHFFFAOYSA-N
- SMILES: FC1=CC=CN=C1CC(C)C
Computed Properties
- Exact Mass: 153.095377549g/mol
- Monoisotopic Mass: 153.095377549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 114
- 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: 2.6
- Topological Polar Surface Area: 12.9
3-Fluoro-2-isobutylpyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A351949-1g |
3-Fluoro-2-isobutylpyridine |
2385678-13-5 | 95% | 1g |
$564.0 | 2024-07-28 |
3-Fluoro-2-isobutylpyridine Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on 3-Fluoro-2-isobutylpyridine
Professional Introduction to 3-Fluoro-2-isobutylpyridine (CAS No. 2385678-13-5)
3-Fluoro-2-isobutylpyridine, identified by its Chemical Abstracts Service (CAS) number 2385678-13-5, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This pyridine derivative has garnered considerable attention due to its unique structural properties and potential applications in drug development. The presence of both a fluorine atom and an isobutyl group on the pyridine ring imparts distinct electronic and steric characteristics, making it a versatile building block for synthesizing novel bioactive molecules.
The compound's molecular structure, characterized by a six-membered aromatic ring substituted with a fluorine atom at the 3-position and an isobutyl group at the 2-position, contributes to its reactivity and interaction with biological targets. Such structural features are often exploited in medicinal chemistry to enhance binding affinity, metabolic stability, and pharmacokinetic profiles of drug candidates. The fluorine atom, in particular, is known for its ability to modulate the electronic properties of adjacent functional groups, which can be leveraged to fine-tune the pharmacological activity of derived compounds.
In recent years, 3-Fluoro-2-isobutylpyridine has been explored as a key intermediate in the synthesis of various therapeutic agents. Its incorporation into pharmacophores has shown promise in several therapeutic areas, including oncology, immunology, and central nervous system (CNS) disorders. For instance, researchers have utilized this compound to develop inhibitors targeting specific enzymes or receptors involved in disease pathways. The isobutyl group provides steric hindrance that can improve selectivity, while the fluorine atom enhances lipophilicity and binding interactions.
One of the most compelling aspects of 3-Fluoro-2-isobutylpyridine is its role in the development of kinase inhibitors. Kinases are enzymes that play crucial roles in cell signaling pathways, and their dysregulation is implicated in numerous diseases, particularly cancer. By modifying the pyridine core with fluorine and isobutyl substituents, chemists have been able to design molecules that selectively inhibit aberrant kinase activity. Preliminary studies have demonstrated that derivatives of this compound exhibit potent inhibitory effects on certain kinases while maintaining good selectivity against others, reducing the risk of off-target effects.
The pharmaceutical industry has also shown interest in 3-Fluoro-2-isobutylpyridine for its potential in creating novel antiviral agents. The unique electronic properties of the fluorinated pyridine ring can influence the interactions between a drug candidate and viral proteases or polymerases. This has led to the exploration of this scaffold in designing inhibitors against RNA viruses, which pose significant challenges due to their rapid mutation rates. Early-stage research indicates that compounds derived from this scaffold may offer promising leads for future antiviral therapies.
In addition to its applications in small-molecule drug development, 3-Fluoro-2-isobutylpyridine has found utility in the synthesis of probes for biochemical studies. Researchers use this compound to develop fluorescent or radioactive labeled derivatives that can be employed in high-throughput screening (HTS) campaigns. These probes help identify new drug targets by allowing researchers to monitor biological processes at a molecular level. The versatility of this compound as a tool for biochemical investigation underscores its importance beyond just being an intermediate in drug synthesis.
The synthesis of 3-Fluoro-2-isobutylpyridine itself is an area of active research. Chemists have developed several synthetic routes that highlight its accessibility while maintaining high yields and purity. One common approach involves the fluorination of 2-isobutylpyridine using palladium-catalyzed cross-coupling reactions or direct fluorination methods. These synthetic strategies are crucial for ensuring that researchers have access to sufficient quantities of the compound for both preclinical studies and industrial applications.
The safety profile of 3-Fluoro-2-isobutylpyridine is another critical consideration in its application within pharmaceutical research. While it is not classified as a hazardous material under standard regulatory guidelines, proper handling procedures must still be followed to ensure worker safety and prevent environmental contamination. laboratories employing this compound typically adhere to good laboratory practices (GLP) and occupational safety regulations to mitigate any potential risks associated with its use.
The future prospects for 3-Fluoro-2-isobutylpyridine are promising, with ongoing research expanding its applications across multiple therapeutic domains. As our understanding of disease mechanisms continues to evolve, so too will the demand for innovative chemical tools like this compound. Its unique structural features make it an invaluable asset for medicinal chemists seeking to develop next-generation therapeutics that address unmet medical needs.
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