• 1. An approach to C–N activation: coupling of arenesulfonyl hydrazides and arenesulfonyl chlorides with tert-amines via a metal-, oxidant- and halogen-free anodic oxidation??
  M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
• 2. An approach towards the synthesis of novel fused nitrogen tricyclic heterocyclic scaffolds via GBB reaction?
  Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
• 3. An atomistic mechanism for the degradation of perovskite solar cells by trapped charge?
  Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
• 4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?
  Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
• 5. An apparatus for determining small amounts of alchohol in sour milk and urine
  Analyst, 1964,89, 272-275

Professional Introduction to 1-Chloro-4-(1-isothiocyanatoethyl)benzene (CAS No. 86841-89-6)

1-Chloro-4-(1-isothiocyanatoethyl)benzene, with the chemical formula C₉H₇ClN₂, is a significant compound in the field of organic synthesis and pharmaceutical research. This compound, identified by its CAS number 86841-89-6, has garnered attention due to its versatile applications in the development of bioactive molecules. The presence of both a chloro and an isothiocyanatoethyl substituent makes it a valuable intermediate in the synthesis of various pharmacologically relevant compounds.

The structure of 1-Chloro-4-(1-isothiocyanatoethyl)benzene features a benzene ring substituted at the 1-position with a chlorine atom and at the 4-position with an isothiocyanatoethyl group. This unique arrangement facilitates its role as a building block in medicinal chemistry. The isothiocyanatoethyl moiety is particularly interesting as it can undergo nucleophilic addition reactions, forming thioureas, thiazolidines, and other sulfur-containing heterocycles, which are prevalent in many bioactive molecules.

In recent years, there has been a growing interest in the development of novel therapeutic agents that incorporate sulfur atoms into their structures. Sulfur-containing compounds have shown promise in various therapeutic areas, including anticancer, anti-inflammatory, and antimicrobial applications. The reactivity of the isothiocyanatoethyl group in 1-Chloro-4-(1-isothiocyanatoethyl)benzene allows for the facile introduction of sulfur into target molecules, making it an attractive candidate for drug discovery.

One of the most compelling aspects of 1-Chloro-4-(1-isothiocyanatoethyl)benzene is its utility in the synthesis of kinase inhibitors. Kinases are enzymes that play crucial roles in cell signaling pathways and are often implicated in diseases such as cancer. By designing molecules that specifically interact with kinase active sites, researchers can develop drugs that modulate these pathways effectively. The ability to incorporate sulfur-rich motifs into kinase inhibitors has been shown to enhance binding affinity and selectivity, leading to more potent and less toxic therapeutic agents.

The chloro substituent on the benzene ring in 1-Chloro-4-(1-isothiocyanatoethyl)benzene also contributes to its synthetic value. Chlorinated aromatic compounds are well-studied and widely used in medicinal chemistry due to their stability and ease of functionalization. The chlorine atom can be readily displaced by various nucleophiles, allowing for further diversification of the molecule's structure. This property makes it particularly useful for constructing complex scaffolds that mimic natural products or designed heterocycles.

Recent advancements in computational chemistry have further highlighted the potential of 1-Chloro-4-(1-isothiocyanatoethyl)benzene. Molecular modeling studies have demonstrated that this compound can serve as a key intermediate in the synthesis of novel drug candidates. By leveraging computational tools, researchers can predict the binding modes of this compound with biological targets, optimizing its design for improved efficacy. These studies underscore the importance of integrating computational methods with traditional synthetic approaches to accelerate drug discovery.

The pharmaceutical industry has also shown interest in using 1-Chloro-4-(1-isothiocyanatoethyl)benzene for the development of vaccines and immunomodulators. Sulfur-containing compounds have been identified as potential adjuvants that can enhance immune responses upon vaccination. The reactivity of the isothiocyanatoethyl group allows for the creation of conjugates that link antigens to adjuvant molecules, improving vaccine efficacy and duration of protection.

In conclusion, 1-Chloro-4-(1-isothiocyanatoethyl)benzene (CAS No. 86841-89-6) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features make it an excellent intermediate for synthesizing bioactive molecules, particularly those containing sulfur-rich motifs. As research continues to uncover new therapeutic applications for sulfur-containing compounds, the importance of compounds like this will only grow. The integration of traditional synthetic chemistry with modern computational methods will further enhance its utility, leading to more innovative and effective drug candidates.

• 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
• 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
• 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
• 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
• 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
• 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
• 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
• 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
• 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
• 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)