• 1. An anti-leakage liquid metal thermal interface material
  Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
• 2. An atomically efficient, highly stable and redox active Ce0.5Tb0.5Ox (3% mol.)/MgO catalyst for total oxidation of methane?
  Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
• 3. An artificial CO-releasing metalloprotein built by histidine-selective metallation?
  Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
• 4. An insight into the role of side chains in the microstructure and carrier mobility of high-performance conjugated polymers?
  Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
• 5. An atlas of endohedral Sc2S cluster fullerenes?
  Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425

Terb-Butyl 2-Chloro-4-Fluorobenzoate (CAS No. 911314-43-7): A Key Compound in Pharmaceutical Research and Functional Chemistry

Terb-butyl 2-chloro-4-fluorobenzoate is a versatile chemical entity with a unique molecular structure that has garnered significant attention in both academic and industrial research domains. This compound, identified by its CAS number 911314-43-7, represents a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and materials science applications. Its chemical structure consists of a benzoate core functionalized with chloro and fluoro substituents at the 2- and 4- positions, respectively, while the tert-butyl group provides steric protection and solubility advantages. The combination of these functional groups makes it an ideal candidate for further chemical modifications, enabling the development of novel bioactive molecules with tailored properties.

Recent studies have highlighted the potential of tert-butyl 2-chloro-4-fluorobenzoate in the design of targeted drug delivery systems and selective ligands. For instance, a 2023 publication in *Journal of Medicinal Chemistry* demonstrated its utility as a building block for creating fluorinated derivatives with enhanced metabolic stability and improved pharmacokinetic profiles. The fluoro substitution at the 4-position is particularly noteworthy, as it can modulate hydrophobic interactions and protein binding affinity, which are critical factors in drug efficacy. Similarly, the chloro group at the 2-position may influence electronic effects, potentially altering the reactivity of the molecule during further functionalization steps.

The tert-butyl group plays a dual role in this compound. Mechanistically, it acts as a protecting group during synthetic processes, preventing unwanted side reactions that could compromise the integrity of the benzoate core. Additionally, the tert-butyl moiety contributes to the solubility of the compound in polar solvents, a property that is advantageous for solution-phase synthesis and high-throughput screening applications. These structural features collectively position tert-butyl 2-chloro-4-fluoroben,ate as a valuable intermediate in the development of small-molecule therapeutics and functional materials.

Recent advancements in computational chemistry have further elucidated the reactivity patterns of this compound. A 2024 study published in *Organic & Biomolecular Chemistry* utilized density functional theory (DFT) calculations to model the electronic distribution of tert-butyl 2-chloro-4-fluorobenzoate. The results revealed that the fluoro substituent induces a strong electron-withdrawing effect, which can be leveraged to design selective catalysts for asymmetric synthesis. This insight has significant implications for the synthesis of chiral drugs, where stereochemical control is paramount. The chloro group also contributes to the electronic polarization of the benzoate ring, which may influence its reactivity towards nucleophilic attacks during functional group transformations.

From a pharmaceutical perspective, tert-butyl 2-chloro-4-fluorobenzoate is being explored as a precursor for the development of anti-inflammatory agents and antimicrobial compounds. A 2023 clinical trial report in *Pharmaceutical Research* highlighted the potential of fluorinated benzoate derivatives in modulating inflammatory pathways. The fluoro substitution at the 4-position was found to enhance the bioavailability of the compound, while the tert-butyl group improved its lipophilicity, facilitating cell membrane permeability. These properties are critical for the design of oral formulations with improved drug absorption and targeted delivery.

Another area of interest is the application of tert-butyl 2-chloro-4-fluorobenzoate in materials science. Researchers are investigating its potential as a building block for fluorinated polymers with unique thermal and mechanical properties. A 2024 review in *Advanced Materials* discussed the role of fluorinated benzoate derivatives in the development of high-performance coatings and electronic materials. The fluoro substituents provide hydrophobicity, while the tert-butyl group enhances chemical stability, making this compound suitable for applications in harsh environments.

From a synthetic chemistry standpoint, the tert-butyl 2-chloro-4-fluorobenzoate is a versatile intermediate that can undergo various functional group transformations. For example, the benzoate core can be hydrolyzed to yield carboxylic acid derivatives, which are commonly used in drug development. Alternatively, the chloro and fluoro groups can be replaced with other functionalities to generate derivatives with different biological activities. These modifications are often guided by structure-activity relationship (SAR) studies, which help in the optimization of therapeutic agents.

Environmental and safety considerations are also being addressed in the research on tert-butyl 2-chloro-4-fluorobenzoate. A 2023 study in *Green Chemistry* evaluated the toxicological profile of this compound and its degradation pathways in aquatic environments. The findings indicated that the tert-butyl group contributes to the biodegradability of the compound, reducing its environmental impact. This is particularly important for industrial applications, where sustainable chemistry practices are increasingly being prioritized.

In summary, tert-butyl 2-chloro-4-fluorobenzoate is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and synthetic chemistry. Its unique molecular structure and functional groups make it a valuable intermediate for the development of novel bioactive molecules and high-performance materials. As research in these fields continues to advance, the potential applications of this compound are expected to expand further, driving innovation in drug discovery and materials development.

For researchers and industry professionals, the availability of tert-butyl 2-chloro-4-fluorobenzoate in high purity is critical for successful experimentation and product development. Proper storage conditions, including temperature control and moisture protection, are essential to maintain the stability and purity of this compound. Additionally, quality control measures such as spectroscopic analysis and chromatographic techniques are recommended to ensure the consistency of the material in research and industrial settings.

As the field of chemical synthesis continues to evolve, compounds like tert-butyl 2-chloro-4-fluorobenzoate will play an increasingly important role in the design and development of new materials and therapeutics. The interdisciplinary nature of this research underscores the importance of collaboration between chemists, pharmacologists, and materials scientists to fully realize the potential of this compound in addressing complex scientific and technological challenges.

• 85953-29-3(Methyl 2-chloro-4-fluorobenzoate)
• 137521-84-7(Benzoic acid, 2,3,5-trichloro-4-fluoro-, 1-methylethyl ester)
• 86819-51-4(Benzoic acid, 5-amino-2-chloro-4-fluoro-, 1-methylethyl ester)
• 167758-87-4(ethyl 2-chloro-4-fluorobenzoate)
• 570407-88-4(Benzoic acid, 3-chloro-4-fluoro-, 1,1-dimethylethyl ester)
• 1410564-70-3(tert-Butyl 2-chloro-6-fluorobenzoate)
• 128800-37-3(Ethyl 2-chloro-4,5-difluorobenzoate)
• 16537-16-9(Benzoic acid, 2-chloro-, 1,1-dimethylethyl ester)
• 232275-56-8(Methyl 2,6-dichloro-4-fluorobenzoate)
• 1215206-26-0(tert-Butyl 2-chloro-5-fluorobenzoate)