• 1. Evolution of dealloying induced strain in nanoporous gold crystals?
  Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
• 2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?
  Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
• 3. Excess electrons in lithium–ethylamine solutions—density, electrical conductivity and EPR studies
  Phys. Chem. Chem. Phys., 1999,1, 3561-3565
• 4. Ester-directed orthogonal dual C–H activation and ortho aryl C–H alkenylation via distal weak coordination?
  Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
• 5. Establishing empirical design rules of nucleic acid templates for the synthesis of silver nanoclusters with tunable photoluminescence and functionalities towards targeted bioimaging applications?
  Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932

Introduction to 6-Fluoro-2-Benzothiazolecarbonitrile (CAS No: 169776-04-9)

6-Fluoro-2-Benzothiazolecarbonitrile, chemically designated as 6-fluoro-2-benzothiazolecarbonitrile, is a significant compound in the realm of pharmaceutical and chemical research. This heterocyclic aromatic compound features a benzothiazole core substituted with a fluoro group and a cyano group, making it a versatile intermediate in the synthesis of various biologically active molecules. With a CAS number of 169776-04-9, this compound has garnered attention due to its potential applications in medicinal chemistry and drug development.

The benzothiazole scaffold is well-known for its presence in numerous pharmacologically active agents, including antimicrobial, antifungal, and anti-inflammatory drugs. The introduction of a fluoro group at the 6-position and a cyano group at the 2-position enhances the electronic properties and metabolic stability of the molecule, which are crucial factors in drug design. Recent studies have highlighted the importance of fluorinated benzothiazole derivatives in developing novel therapeutic agents due to their improved bioavailability and reduced susceptibility to metabolic degradation.

In the context of modern pharmaceutical research, 6-fluoro-2-benzothiazolecarbonitrile has been explored as a key intermediate in the synthesis of kinase inhibitors, which are pivotal in treating cancers and inflammatory diseases. The fluoro substituent, in particular, has been shown to enhance binding affinity and selectivity by modulating hydrophobic interactions and electronic effects. Furthermore, the cyano group can serve as a handle for further functionalization, allowing chemists to tailor the molecule for specific biological targets.

Recent advancements in computational chemistry have enabled researchers to predict the binding modes of 6-fluoro-2-benzothiazolecarbonitrile with various biological targets with high accuracy. These studies have revealed that the compound can interact with proteins through multiple binding sites, suggesting its potential as a multi-target inhibitor. Such findings are crucial for designing drugs that can modulate complex disease pathways effectively.

The synthesis of 6-fluoro-2-benzothiazolecarbonitrile involves multi-step organic transformations, including condensation reactions, nucleophilic substitutions, and cyclizations. The presence of the fluoro group requires careful handling due to its sensitivity to certain reaction conditions. However, modern synthetic methodologies have improved the efficiency and yield of these reactions, making it more feasible to produce this compound on an industrial scale.

One of the most compelling applications of 6-fluoro-2-benzothiazolecarbonitrile is in the development of antiviral agents. The benzothiazole core is known to disrupt viral replication by inhibiting essential enzymes or proteins involved in viral life cycles. The fluoro and cyano substituents further enhance its antiviral properties by improving solubility and cell permeability. Current research is focused on identifying novel viral targets that can be effectively inhibited by this compound.

The role of fluorine in medicinal chemistry cannot be overstated. Fluorinated compounds often exhibit improved pharmacokinetic properties compared to their non-fluorinated counterparts. This is attributed to the ability of fluorine to influence metabolic pathways and enhance molecular stability. In the case of 6-fluoro-2-benzothiazolecarbonitrile, these properties make it an attractive candidate for further development into therapeutic agents.

Economic considerations also play a significant role in the adoption of 6-fluoro-2-benzothiazolecarbonitrile in drug development. The availability of cost-effective synthetic routes and scalable production methods can significantly reduce the overall cost of developing new drugs based on this intermediate. This has led to increased interest from pharmaceutical companies looking to optimize their drug discovery pipelines.

The environmental impact of synthesizing fluorinated compounds is another important factor that researchers consider. While fluorine offers numerous advantages in drug design, its synthesis often requires harsh conditions or hazardous reagents. Efforts are underway to develop more sustainable synthetic routes that minimize environmental impact without compromising efficiency or yield.

In conclusion, 6-fluoro-2-benzothiazolecarbonitrile (CAS No: 169776-04-9) is a promising compound with significant potential in pharmaceutical research. Its unique structural features make it an excellent intermediate for synthesizing biologically active molecules with improved pharmacological properties. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in the development of next-generation therapeutics.

• 2602-85-9(1,3-Benzothiazole-2-carbonitrile)
• 170881-41-1(Benzothiazole,5,6-difluoro-2-methyl-)
• 399-73-5(6-Fluoro-2-methylbenzothiazole)
• 169776-05-0(2-Benzothiazolecarbonitrile,4,6-difluoro-(9CI))
• 169776-07-2(2-Benzothiazolecarbonitrile,6,7-difluoro-(9CI))
• 170862-41-6(Benzothiazole,2-ethyl-6-fluoro-)
• 266336-54-3(Thiazolo[5,4-f]quinoline-2-carbonitrile)
• 169776-03-8(5-fluoro-2-Benzothiazolecarbonitrile)
• 169776-06-1(2-Benzothiazolecarbonitrile,5,6-difluoro-)
• 169776-13-0(4-Fluorobenzo[d]thiazole-2-carbonitrile)