• 1. Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis?
  Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
• 2. Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction?
  Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
• 3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?
  Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
• 4. Distribution and ecological risk assessment of typical antibiotics in the surface waters of seven major rivers, China?
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• 5. Evolved polymerases facilitate selection of fully 2′-OMe-modified aptamers?
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• Solvents and Organic Chemicals Organic Compounds Amines/Sulfonamides
• Solvents and Organic Chemicals Organic Compounds

Methyl 3-amino-5-chlorobenzoate (CAS No. 21961-31-9): A Key Intermediate in Modern Pharmaceutical Synthesis

Methyl 3-amino-5-chlorobenzoate (CAS No. 21961-31-9) is a versatile intermediate that has garnered significant attention in the field of pharmaceutical synthesis and medicinal chemistry. This compound, characterized by its amino and chloro substituents on a benzoate backbone, serves as a crucial building block for the development of various therapeutic agents. Its unique structural features make it particularly valuable in the synthesis of bioactive molecules targeting a wide range of diseases.

The significance of Methyl 3-amino-5-chlorobenzoate lies in its ability to undergo diverse chemical transformations, enabling the construction of complex molecular architectures. The presence of both an amino group and a chloro group provides multiple points for functionalization, making it an ideal candidate for further derivatization. This flexibility has been leveraged in the development of novel drugs, particularly in the treatment of inflammatory disorders, infectious diseases, and even certain types of cancer.

In recent years, there has been a surge in research focused on harnessing the potential of Methyl 3-amino-5-chlorobenzoate in drug discovery. One notable area of investigation is its role in the synthesis of small-molecule inhibitors that modulate enzyme activity. For instance, studies have demonstrated its utility in creating inhibitors targeting kinases and other enzymes implicated in cancer progression. The amino group can be readily modified to form hydrogen bonds or participate in coordination interactions with biological targets, while the chloro group can serve as a leaving group in nucleophilic substitution reactions, allowing for further functionalization.

The compound's application extends beyond kinase inhibition. Researchers have also explored its use in developing antimicrobial agents. The benzoate moiety is known to exhibit broad-spectrum antimicrobial properties, and by incorporating additional functional groups such as amino and chloro substituents, its efficacy can be enhanced. Recent studies have shown promising results when using derivatives of Methyl 3-amino-5-chlorobenzoate to combat resistant bacterial strains. The ability to fine-tune the structure through strategic modifications allows for the optimization of antimicrobial activity while minimizing off-target effects.

Another emerging area where Methyl 3-amino-5-chlorobenzoate is making strides is in the development of anti-inflammatory agents. Chronic inflammation is a hallmark of many diseases, including autoimmune disorders and metabolic syndromes. By leveraging the compound's structural framework, researchers have designed molecules that can selectively inhibit inflammatory pathways. The amino group can be tailored to interact with specific proteins involved in inflammation, while the chloro group can be used to introduce additional pharmacophores that enhance binding affinity and selectivity.

The synthesis of Methyl 3-amino-5-chlorobenzoate itself is an intricate process that requires careful optimization to ensure high yield and purity. Traditional synthetic routes often involve multi-step sequences involving chlorination and amination reactions. However, advancements in synthetic methodologies have enabled more efficient and sustainable approaches. For instance, catalytic methods have been developed that minimize waste and reduce reaction times, aligning with the growing emphasis on green chemistry principles.

The role of computational chemistry in designing derivatives of Methyl 3-amino-5-chlorobenzoate cannot be overstated. High-throughput virtual screening allows researchers to rapidly evaluate thousands of potential structures before synthesizing them experimentally. This approach not only accelerates the drug discovery process but also reduces costs associated with trial-and-error experimentation. By integrating experimental data with computational models, scientists can predict the biological activity of new derivatives with greater accuracy.

In conclusion, Methyl 3-amino-5-chlorobenzoate (CAS No. 21961-31-9) represents a cornerstone intermediate in modern pharmaceutical synthesis. Its unique structural attributes enable its use in developing a diverse array of therapeutic agents targeting various diseases. As research continues to uncover new applications for this compound, its importance in drug discovery is likely to grow even further. The ongoing efforts to optimize its synthesis and explore novel derivatives underscore its enduring relevance in the pharmaceutical industry.

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