• 1. Excellent electrochemical performance of LiFe0.4Mn0.6PO4 microspheres produced using a double carbon coating process?
  Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
• 2. Excellent energy storage performance in NaNbO3-based relaxor antiferroeic ceramics under a low electric field
  XuxinCheng,XiaomingChen,PengyuanFan
• 3. Evidence of pre-micellar aggregates in aqueous solution of amphiphilic PDMS–PEO block copolymer?
  Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
• 4. Fe3O4/FeS2 heterostructures enable efficient oxygen evolution reaction?
  Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
• 5. 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

Recent Advances in the Study of 3-Chloro-5-methoxybenzonitrile (CAS: 473923-96-5) in Chemical Biology and Pharmaceutical Research

3-Chloro-5-methoxybenzonitrile (CAS: 473923-96-5) is a chemical compound that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This aromatic nitrile derivative serves as a versatile intermediate in the synthesis of various biologically active molecules, particularly in the development of kinase inhibitors and other therapeutic agents. Recent studies have explored its role in modulating key biological pathways, making it a compound of interest for researchers in chemical biology and pharmaceutical sciences.

A 2023 study published in the Journal of Medicinal Chemistry investigated the use of 3-Chloro-5-methoxybenzonitrile as a building block for novel Bruton's tyrosine kinase (BTK) inhibitors. The research team demonstrated that derivatives of this compound exhibited promising inhibitory activity against BTK, a key target in the treatment of B-cell malignancies and autoimmune diseases. The study highlighted the importance of the chloro and methoxy substituents in maintaining optimal binding affinity to the BTK active site.

In the field of agrochemical research, 3-Chloro-5-methoxybenzonitrile has shown potential as a precursor for the development of new fungicides. A recent patent application (WO2023051234) describes its incorporation into novel strobilurin analogs that demonstrate broad-spectrum activity against plant pathogenic fungi. The unique electronic properties imparted by the nitrile group appear to enhance the stability and bioavailability of these agrochemical compounds.

Advanced computational studies have provided insights into the molecular interactions of 3-Chloro-5-methoxybenzonitrile derivatives. Density functional theory (DFT) calculations published in Physical Chemistry Chemical Physics (2024) revealed that the compound's electronic structure facilitates favorable π-π stacking interactions with aromatic amino acids in protein binding sites. These findings help explain the observed biological activity of various derivatives and guide rational drug design approaches.

The compound's synthetic utility was further demonstrated in a recent Nature Communications article (2024), where it served as a key intermediate in the modular synthesis of complex heterocyclic scaffolds. Researchers developed a novel one-pot cascade reaction sequence that efficiently transforms 3-Chloro-5-methoxybenzonitrile into pharmacologically relevant indole and quinoline derivatives, significantly streamlining the synthesis of potential drug candidates.

From a safety and toxicology perspective, recent in vitro studies have characterized the metabolic pathways of 3-Chloro-5-methoxybenzonitrile in human liver microsomes. The data, published in Xenobiotica (2023), indicate that the compound undergoes primarily oxidative metabolism, with the nitrile group remaining intact. These findings have important implications for the design of derivatives with improved metabolic stability.

Looking forward, 3-Chloro-5-methoxybenzonitrile continues to be a valuable tool in chemical biology research. Its versatility as a synthetic intermediate, combined with emerging biological activities of its derivatives, positions this compound as an important focus area for future drug discovery efforts. Ongoing research is exploring its potential in targeted protein degradation strategies and as a component of PROTAC molecules, representing exciting new directions for this chemical scaffold.

• 127666-99-3(2-Chloro-4-methoxybenzonitrile)
• 920036-18-6(1,3-Benzenedicarbonitrile, 5-(3-chloro-5-methoxyphenoxy)-)
• 920036-12-0(3-Chloro-5-(2-chloro-5-hydroxyphenoxy)benzonitrile)
• 920036-19-7(1,3-Benzenedicarbonitrile, 5-(3-chloro-5-hydroxyphenoxy)-)
• 920036-15-3(Benzonitrile, 3-chloro-5-(3-hydroxy-5-methylphenoxy)-)
• 920036-09-5(Benzonitrile, 3-(3-chloro-5-hydroxyphenoxy)-)
• 102151-33-7(3-Chloro-4-methoxybenzonitrile)
• 473923-97-6(3-Chloro-5-hydroxybenzonitrile)
• 71721-77-2(Dibenzo[b,e][1,4]dioxin-2-carbonitrile,7,8-dichloro-)
• 74448-92-3(4-(4-Chlorophenoxy)benzonitrile)