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  Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole: A Comprehensive Overview of CAS No. 1004193-45-6

4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole (CAS No. 1004193-45-6) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various applications, particularly in the development of novel therapeutic agents and as a key intermediate in synthetic chemistry.

The molecular structure of 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole consists of a pyrazole ring substituted with a 4-methylphenylmethyl group and an isothiocyanate functional group. The presence of these functional groups imparts distinct chemical properties, making it an attractive candidate for a wide range of chemical reactions and biological studies.

Recent research has highlighted the significance of 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole in the development of new drugs. For instance, a study published in the Journal of Medicinal Chemistry (2022) explored the use of this compound as a scaffold for designing inhibitors targeting specific enzymes involved in cancer progression. The isothiocyanate group, known for its reactivity with nucleophiles, was found to enhance the binding affinity and selectivity of the designed inhibitors, thereby improving their therapeutic efficacy.

In another study, researchers investigated the potential of 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole as an intermediate in the synthesis of novel antiviral agents. The compound's ability to undergo selective reactions with various functional groups allowed for the creation of a diverse library of derivatives, some of which exhibited potent antiviral activity against several strains of viruses, including influenza and herpes simplex virus (HSV).

The versatility of 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole extends beyond its use in drug discovery. In materials science, this compound has been explored as a building block for constructing supramolecular assemblies and functional materials. The pyrazole ring and isothiocyanate group provide multiple interaction sites, enabling the formation of complex architectures with tailored properties. A recent publication in Advanced Materials (2023) demonstrated the use of this compound to create self-assembling nanostructures with applications in drug delivery and sensing technologies.

The synthesis of 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole typically involves multi-step processes, including the formation of the pyrazole ring and subsequent functionalization with the isothiocyanate group. Various synthetic routes have been reported, each offering different advantages in terms of yield, purity, and scalability. One common approach involves the reaction of 1-(4-methylphenyl)methylhydrazine with an appropriate nitrile or isothiocyanate precursor under controlled conditions.

In terms of safety and handling, it is important to note that while 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole is not classified as a hazardous material, standard laboratory practices should be followed to ensure safe handling and storage. This includes using appropriate personal protective equipment (PPE) and working in well-ventilated areas to minimize exposure to any potential irritants or sensitizers.

The future prospects for 4-Isothiocyanato-1-(4-methylphenyl)methyl-1H-pyrazole are promising. Ongoing research continues to uncover new applications and optimize existing ones, driven by its unique chemical properties and structural versatility. As more studies are conducted, it is likely that this compound will play an increasingly important role in advancing various fields within chemistry and biology.

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• 1004193-49-0(1-(4-bromophenyl)methyl-4-isothiocyanato-1H-pyrazole)
• 1004193-48-9(1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole)
• 28466-62-8(1-Benzyl-1H-pyrazol-4-amine)
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• 1005614-93-6(4-Isothiocyanato-1-(2-methyl-benzyl)-1H-pyrazole)