• 1. Evolved polymerases facilitate selection of fully 2′-OMe-modified aptamers?
  Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
• 2. Fate of single walled carbon nanotubes in wetland ecosystems?
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• 3. Fatty acid positional distribution in colostrum and mature milk of women living in Inner Mongolia, North Jiangsu and Guangxi of China?
  Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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• Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids

Introduction to (2E)-2-(phenylmethylidene)butanoic Acid (CAS No: 26197-64-8)

(2E-2-(phenylmethylidene))butanoic acid, identified by the Chemical Abstracts Service Number (CAS No) 26197-64-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound, featuring a conjugated system with a phenyl group and a chiral center, has garnered attention due to its versatile structural properties and potential applications in synthetic chemistry and drug development.

The molecular structure of (2E-2-(phenylmethylidene))butanoic acid consists of a butanoic acid backbone substituted with an iminomethyl group attached to the second carbon. This configuration imparts unique reactivity, making it a valuable intermediate in the synthesis of more complex molecules. The presence of the phenyl ring enhances its interaction with biological systems, which is particularly relevant in medicinal chemistry.

In recent years, researchers have been exploring the pharmacological potential of derivatives of this compound. The conjugated double bond system and the chiral center offer opportunities for designing molecules with specific biological activities. For instance, studies have indicated that analogs of (2E-2-(phenylmethylidene))butanoic acid exhibit properties that are useful in the development of anti-inflammatory and analgesic agents. The phenylmethylidene moiety, in particular, has been shown to modulate enzyme activity, which is a key mechanism in many therapeutic interventions.

The synthesis of (2E-2-(phenylmethylidene))butanoic acid typically involves condensation reactions between benzaldehyde derivatives and appropriate β-keto esters or β-keto acids. These reactions often proceed via Michael addition or aldol condensation pathways, depending on the reaction conditions. The stereochemistry of the product can be controlled by using chiral auxiliaries or catalysts, which is crucial for achieving enantiomerically pure compounds. Such purity is essential for pharmaceutical applications where the biological activity can be highly dependent on the stereochemical configuration.

The compound's solubility and stability are also important considerations in its application. (2E-2-(phenylmethylidene))butanoic acid generally exhibits moderate solubility in organic solvents such as ethanol and acetone, which facilitates its use in solution-phase synthesis. Its stability under various conditions, including temperature and pH, makes it suitable for long-term storage and repeated use in laboratory settings. These properties contribute to its utility as a building block in multi-step synthetic protocols.

In the context of drug discovery, the structural features of (2E-2-(phenylmethylidene))butanoic acid make it an attractive scaffold for further derivatization. Researchers have employed computational methods to predict how modifications to this core structure might affect its biological activity. For example, computational studies have suggested that introducing fluorine atoms at specific positions could enhance binding affinity to target proteins. Such insights are derived from molecular docking simulations and quantum mechanical calculations, which are integral parts of modern drug design processes.

The compound has also been investigated for its potential role in materials science. Its ability to form coordination complexes with transition metals has led to studies exploring its applications as a ligand in catalysis. In particular, complexes formed with palladium and nickel have shown promise in cross-coupling reactions, which are fundamental transformations in organic synthesis. These reactions are widely used in the pharmaceutical industry to construct complex molecular architectures.

Epidemiological studies have sometimes suggested correlations between exposure to certain phenyl-containing compounds and health outcomes. While these studies often focus on larger molecules or environmental contaminants rather than individual intermediates like (2E-2-(phenylmethylidene))butanoic acid, they underscore the importance of understanding the potential effects of such compounds on human health. Safety assessments are therefore conducted as part of any research involving this substance, ensuring that both researchers and potential end-users are aware of any risks associated with its handling and application.

The future directions for research on (2E-2-(phenylmethylidene))butanoic acid are likely to include further exploration of its pharmacological properties and development of novel synthetic methods for its derivatives. Advances in synthetic chemistry continue to enable more efficient and scalable production processes for complex molecules like this one. Additionally, interdisciplinary approaches combining organic chemistry with bioinformatics may uncover new applications that were previously unconsidered.

In conclusion, ((2E)-2-(phenylmethylidene)butanoic acid (CAS No: 26197-64-8)) represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique structural features make it a valuable tool for synthetic chemists and pharmacologists alike. As research progresses, we can expect further insights into its potential uses and mechanisms of action, which may lead to innovative developments in medicine and materials science.

• 105064-54-8(Hexanedioic acid, 2-[(4-methylphenyl)methylene]-, (E)-)
• 746650-65-7(Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo-)
• 46427-07-0(Butanedioic acid, (phenylmethylene)-, (E)-)
• 58441-58-0(azanium; (E)-2-methylbut-2-enoate; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid; styrene)
• 502180-39-4(4-Pentenoic acid, 2-(phenylmethylene)-, (2E)-)
• 5653-88-3((2Z)-2-(phenylmethylidene)butanedioic Acid)
• 4134-20-7(Hexanoic acid,2-(phenylmethylene)-)
• 105064-52-6(Hexanedioic acid, 2-(phenylmethylene)-, (E)-)
• 620-78-0((2E)-2-(phenylmethylidene)butanoic acid)
• 88153-39-3(Butanoic acid, 2-(phenylmethylene)-, (Z)-)