• 1. Fate of nitrogen-15 in the subsequent growing season of greenhouse tomato plants (Lycopersicon esculentum Mill) as influenced by alternate partial root-zone irrigation
  Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
• 2. Emerging 2D hybrid nanomaterials: towards enhanced sensitive and selective conductometric gas sensors at room temperature
  Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
• 3. Establishment and implications of a characterization method for magnetic nanoparticle using cell tracking velocimetry and magnetic susceptibility modified solutions
  Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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• 5. Emerging investigator series: heterogeneous reactions of sulfur dioxide on mineral dust nanoparticles: from single component to mixed components?
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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Coumarans Coumarans
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Coumarans

Professional Introduction to 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester (CAS No. 943640-77-5)

3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester, identified by the CAS number 943640-77-5, is a structurally intriguing compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic ester, characterized by its benzofuran core and ester functionality, exhibits a unique combination of structural and chemical properties that make it a valuable scaffold for medicinal chemistry applications. The compound’s molecular framework, featuring a fused benzene and furan ring system with substituents at the 3-position of the furan ring and ethyl ester at the 5-position, provides a versatile platform for further derivatization and functionalization.

The synthesis of 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester involves multi-step organic transformations that highlight the compound’s synthetic accessibility. The benzofuran core can be constructed through cyclization reactions of appropriately substituted phenols or through cross-coupling strategies that build the aromatic system piece by piece. The introduction of the ethyl ester group at the 5-position typically proceeds via esterification reactions, often employing activated carboxylic acid derivatives or direct esterification with alcohols under acidic conditions. These synthetic pathways underscore the compound’s feasibility for large-scale production and structural diversification, which are critical factors in drug discovery pipelines.

Recent advancements in computational chemistry and molecular modeling have positioned 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester as a promising candidate for virtual screening and high-throughput virtual screening (HTVS) campaigns. Its rigid aromatic scaffold suggests potential interactions with biological targets such as enzymes and receptors, making it an attractive candidate for identifying novel bioactive molecules. The compound’s ability to adopt multiple conformations due to its flexible side chains allows for optimized binding interactions with macromolecular targets, a key consideration in structure-based drug design.

In the realm of medicinal chemistry, 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester has been explored as a precursor for more complex derivatives with enhanced pharmacological properties. For instance, modifications at the 3-position of the furan ring can introduce various substituents that modulate electronic and steric effects, thereby influencing binding affinity and selectivity. Additionally, the ester group provides a handle for further functionalization via hydrolysis or transesterification reactions, enabling the synthesis of amides or other bioconjugates that may exhibit improved pharmacokinetic profiles.

The compound’s potential biological activity has been investigated in several preclinical studies. Its structural motif is reminiscent of natural products known to possess antimicrobial and anti-inflammatory properties. Preliminary in vitro assays have suggested that derivatives of 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester may interfere with key metabolic pathways in pathogens or modulate inflammatory cascades. These findings align with broader trends in drug discovery where natural product-inspired scaffolds are leveraged to identify novel therapeutic agents.

The versatility of 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester extends beyond its use as an intermediate in drug synthesis; it also finds utility in materials science and agrochemical research. Its heterocyclic structure contributes to unique electronic properties that make it a candidate for organic semiconductors or liquid crystal applications. In agrochemicals, derivatives of this compound may exhibit herbicidal or fungicidal activities by targeting specific enzymatic pathways in plants or fungi.

The regulatory landscape surrounding 3,3-Dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid ethyl ester is favorable for research purposes. As a non-controlled substance with no known toxicological hazards at typical laboratory scales, it can be handled under standard good laboratory practices (GLP) conditions without additional regulatory burdens. This accessibility makes it an attractive choice for academic institutions and pharmaceutical companies engaged in early-stage discovery research.

The future direction of research involving CAS No. 943640-77-5 is likely to focus on expanding its chemical space through combinatorial chemistry approaches and library synthesis techniques. By systematically varying substituents across different positions on the benzofuran core, researchers aim to uncover novel analogs with enhanced potency and selectivity against disease-relevant targets. Advances in synthetic methodologies will also play a crucial role in streamlining production processes and reducing costs associated with large-scale preparation.

In conclusion,CAS No 943640-77-5, corresponding to _Ethyl 4-methoxy-N-(1-methylindan)-2-carboxamidine hydrochloride_, represents a structurally intriguing compound with broad applications across multiple scientific disciplines including medicinal chemistry,drug discovery, organic synthesis,and materials science_. Its unique molecular framework provides an excellent platform for further exploration,offering opportunities to develop novel therapeutic agents,functional materials,and advanced chemical products._ The ongoing research into this compound underscores its significance as a building block for innovation within academia _and_ industry alike.

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