• 1. Enabling shape memory and healable effects in a conjugated polymer by incorporating siloxane via dynamic imine bond?
  Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
• 2. Empowering microfluidics by micro-3D printing and solution-based mineral coating?
  Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
• 3. Establishment and implications of a characterization method for magnetic nanoparticle using cell tracking velocimetry and magnetic susceptibility modified solutions
  Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
• 4. 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
• 5. Evolution of cellulose into flexible conductive green electronics: a smart strategy to fabricate sustainable electrodes for supercapacitors
  Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143

• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Azoles Pyrazole carboxylic acids and derivatives
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Azoles Pyrazoles Pyrazole carboxylic acids and derivatives

Professional Introduction to 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 128537-60-0)

4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid, identified by its CAS number 128537-60-0, is a specialized heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole family, a class of heterocycles characterized by a five-membered ring containing two nitrogen atoms. The presence of bromine, a tert-butyl group, and a methyl group at specific positions on the pyrazole core imparts unique electronic and steric properties, making it a valuable scaffold for the development of novel bioactive molecules.

The structural features of 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid contribute to its versatility in synthetic chemistry. The bromine atom at the 4-position serves as a reactive handle for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, enabling the introduction of diverse aryl or amino groups. This capability is particularly useful in the construction of more complex molecular architectures aimed at modulating biological pathways.

The tert-butyl group at the 1-position introduces steric hindrance, which can influence both the solubility and binding affinity of derivatives. This modification is often employed to enhance metabolic stability or to improve interactions with biological targets. Additionally, the methyl group at the 3-position further fine-tunes the electronic properties of the pyrazole ring, potentially affecting reactivity and binding modes in drug-like molecules.

In recent years, pyrazole derivatives have been extensively studied for their pharmacological potential. The scaffold exhibits broad biological activity, including anti-inflammatory, antimicrobial, and anticancer properties. For instance, modifications of the pyrazole core have been explored in the development of kinase inhibitors, which are critical in targeted cancer therapies. The compound 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid represents an advanced building block that could be utilized to design next-generation kinase inhibitors with improved selectivity and efficacy.

One notable application of this compound is in the synthesis of small-molecule probes for biochemical assays. The ability to introduce reporter groups or tags via functionalization at the bromine or carboxylic acid positions allows researchers to develop tools for studying enzyme mechanisms and protein-protein interactions. Such probes are invaluable in drug discovery pipelines, where understanding molecular interactions at a detailed level is crucial.

The carboxylic acid moiety at the 5-position provides another point of modification, enabling derivatization into esters, amides, or other functional groups that can enhance solubility or target specificity. This flexibility makes 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid a versatile intermediate in medicinal chemistry libraries designed for high-throughput screening (HTS) campaigns.

Recent advancements in computational chemistry have further enhanced the utility of this compound. Machine learning models trained on large datasets have demonstrated the ability to predict biological activity based on structural features. The unique combination of substituents in 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid makes it an ideal candidate for such predictive studies, helping researchers prioritize analogs with desired pharmacokinetic profiles.

The synthesis of 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid typically involves multi-step organic transformations starting from commercially available precursors. Key steps often include bromination strategies to introduce the bromine atom at the 4-position, followed by selective alkylation or protection-deprotection sequences to install the tert-butyl and methyl groups. The final step usually involves carboxylation at the 5-position, which can be achieved through various methods such as oxidation or carboxylation reactions.

The purity and quality of 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid are critical for downstream applications. High-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed techniques for characterization and purification. Ensuring high purity is essential for reliable biological testing and further derivatization.

The growing interest in fragment-based drug design has also highlighted the importance of simple yet potent building blocks like 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid. By leveraging its structural features, medicinal chemists can rapidly assemble libraries of compounds that mimic known bioactive scaffolds while introducing novel chemical diversity. This approach has accelerated hit identification in several therapeutic areas.

In conclusion, 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 128537-60-0) is a multifunctional compound with significant potential in pharmaceutical research. Its unique structural attributes make it an excellent candidate for further chemical manipulation and biological evaluation. As computational tools continue to evolve and high-throughput screening technologies advance, compounds like this will play an increasingly pivotal role in discovering new therapeutic agents.

• 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)