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  XuxinCheng,XiaomingChen,PengyuanFan
• 2. Exchangeability of amino acid residues with similar physicochemical properties in coiled-coil interactions?
  Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
• 3. Fe/Fe3C@C nanoparticles encapsulated in N-doped graphene–CNTs framework as an efficient bifunctional oxygen electrocatalyst for robust rechargeable Zn–air batteries?
  Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
• 4. Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis?
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• 5. Emerging investigator series: first-principles and thermodynamics comparison of compositionally-tuned delafossites: cation release from the (001) surface of complex metal oxides?
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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Phenylbutylamines

Chemical Profile of 4-(2-chloro-5-methylphenyl)butan-1-amine (CAS No. 1896414-52-0)

4-(2-chloro-5-methylphenyl)butan-1-amine, identified by its Chemical Abstracts Service (CAS) number 1896414-52-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of amine derivatives, characterized by its unique structural framework, which includes a butan-1-amine side chain attached to a phenyl ring substituted with chloro and methyl groups. The precise arrangement of these functional groups imparts distinct chemical properties, making it a valuable intermediate in the synthesis of biologically active molecules.

The molecular structure of 4-(2-chloro-5-methylphenyl)butan-1-amine consists of a benzene ring at the core, with a chloro group (-Cl) at the 2-position and a methyl group (-CH?) at the 5-position. This substitution pattern enhances the compound's reactivity and interaction potential with biological targets. The butan-1-amine moiety extends from the phenyl ring, providing a nucleophilic site for further chemical modifications. Such structural features are often exploited in drug design to modulate binding affinity and pharmacokinetic profiles.

In recent years, there has been growing interest in developing novel therapeutic agents that leverage the versatility of amine derivatives. 4-(2-chloro-5-methylphenyl)butan-1-amine has been explored as a key building block in the synthesis of potential pharmacological compounds. Its unique chemical constitution makes it particularly useful in creating molecules with targeted biological activity. For instance, researchers have investigated its utility in developing small-molecule inhibitors for various enzymatic pathways implicated in diseases such as cancer, inflammation, and neurological disorders.

One of the most compelling aspects of 4-(2-chloro-5-methylphenyl)butan-1-amine is its role in generating structure-activity relationships (SARs). By systematically modifying its functional groups or incorporating it into larger molecular frameworks, scientists can fine-tune its pharmacological properties. Preliminary studies have demonstrated that derivatives of this compound exhibit promising interactions with proteins and enzymes relevant to therapeutic intervention. The chloro and methyl substituents on the phenyl ring are particularly noteworthy, as they can influence electronic distribution and steric hindrance, thereby affecting binding efficacy.

The synthesis of 4-(2-chloro-5-methylphenyl)butan-1-amine typically involves multi-step organic reactions, starting from commercially available precursors such as 2-chloro-5-methylbenzene and butyraldehyde. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and nucleophilic substitutions, have been employed to achieve high yields and purity. These synthetic strategies highlight the compound's synthetic accessibility, which is crucial for both academic research and industrial applications.

Recent advancements in computational chemistry have further enhanced the understanding of 4-(2-chloro-5-methylphenyl)butan-1-amine's behavior. Molecular modeling studies have revealed insights into its binding modes with biological targets, providing a rational basis for designing more potent analogs. These computational approaches complement experimental efforts by predicting optimal conformations and interaction energies, thereby accelerating the drug discovery process.

In addition to its pharmaceutical potential, 4-(2-chloro-5-methylphenyl)butan-1-amine has shown promise in material science applications. Its ability to form stable complexes with other molecules makes it a candidate for developing novel functional materials or catalysts. While these applications are still under exploration, they underscore the compound's broad utility beyond traditional medicinal chemistry.

The safety profile of 4-(2-chloro-5-methylphenyl)butan-1-amine is another critical consideration. As with any chemical compound used in research or industry, proper handling procedures must be followed to ensure worker safety and environmental protection. While it is not classified as a hazardous substance under standard regulatory frameworks, adherence to good laboratory practices (GLP) is essential when working with this compound.

Looking ahead, the future prospects for 4-(2-chloro-5-methylphenyl)butan-1-amine appear promising. Ongoing research aims to uncover new derivatives with enhanced therapeutic efficacy and reduced side effects. Collaborative efforts between academic institutions and pharmaceutical companies are likely to drive innovation in this area. As our understanding of biological systems continues to evolve, compounds like 4-(2-chloro-5-methylphenyl)butan-1-amine will remain instrumental in addressing unmet medical needs.

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