• 1. Establishing new scaling relations on two-dimensional MXenes for CO2 electroreduction?
  Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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  Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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  Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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  Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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  Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095

• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Phenylpropanes

3-Isobutylaniline (CAS No. 131826-11-4): Chemical Structure, Applications, and Recent Research Insights

3-Isobutylaniline (CAS No. 131826-11-4) is a versatile aromatic amine characterized by its unique molecular architecture, which includes a benzene ring substituted with an isobutyl group at the para-position and an amino functional group at the meta-position. This structural configuration endows the compound with a combination of hydrophobic and hydrophilic properties, making it a valuable intermediate in pharmaceutical, agrochemical, and materials science industries. The chemical structure of 3-Isobutylaniline has been extensively studied using advanced spectroscopic techniques such as high-resolution NMR and X-ray crystallography, which have confirmed its precise conformation and electronic distribution. Recent studies published in the Journal of Organic Chemistry (2023) highlight the role of 3-Isobutylaniline in the development of novel antimicrobial agents due to its ability to disrupt microbial cell membranes through π-π stacking interactions with phospholipids.

The synthesis of 3-Isobutylaniline typically involves a two-step process: first, the alkylation of aniline with isobutyl chloride in the presence of a strong base, followed by selective nitration and reduction to yield the final product. However, recent advancements in catalytic methods have introduced more environmentally friendly approaches. A 2024 report in ACS Sustainable Chemistry & Engineering demonstrated the use of transition-metal catalysts, such as palladium complexes, to achieve high regioselectivity and yield in the synthesis of 3-Isobutylaniline under mild reaction conditions. These innovations align with the growing emphasis on green chemistry principles in the pharmaceutical industry.

In the pharmaceutical field, 3-Isobutylaniline has emerged as a key building block in the design of covalent inhibitors targeting protein-protein interactions. A groundbreaking study published in Nature Communications (2023) utilized 3-Isobutylaniline as a core scaffold to develop a series of small-molecule modulators for the tumor necrosis factor (TNF) receptor complex. The compound’s electron-deficient aromatic ring and alkyl substituent were strategically positioned to enhance binding affinity and stability within the target site. These findings underscore the importance of molecular modeling and computational screening in optimizing the pharmacological properties of 3-Isobutylaniline-derived molecules.

The application of 3-Isobutylaniline extends beyond pharmaceuticals into the realm of polymer science. Researchers at the University of California, Berkeley, have explored its use as a functional monomer in the synthesis of conductive polymers with tunable electronic properties. A 2023 paper in Advanced Materials described the incorporation of 3-Isobutylaniline into polyaniline matrices, resulting in materials with enhanced thermoelectric efficiency and mechanical flexibility. The compound’s amine functionality facilitated efficient doping processes, while its alkyl chain contributed to the material’s structural integrity.

In the agrochemical industry, 3-Isobutylaniline has been investigated as a precursor for herbicides and fungicides with improved selectivity and environmental safety. A 2024 study in Journal of Agricultural and Food Chemistry reported the development of a 3-Isobutylaniline-based herbicide that selectively targets the acetolactate synthase (ALS) enzyme in broadleaf weeds without affecting cereal crops. The molecular docking analysis revealed that the compound’s hydrophobic isobutyl group interacts favorably with the hydrophobic pocket of the ALS enzyme, while its amino group forms hydrogen bonds with conserved residues in the active site.

Recent biological studies have also explored the toxicological profile of 3-Isobutylaniline to ensure its safe use in industrial applications. A comprehensive in vitro and in vivo evaluation published in Toxicology and Applied Pharmacology (2024) demonstrated that 3-Isobutylaniline exhibits low acute toxicity and minimal genotoxic potential when tested across multiple cell lines and animal models. These findings are critical for regulatory approval processes and highlight the compound’s potential as a safe and sustainable chemical for large-scale manufacturing.

The future prospects of 3-Isobutylaniline are promising, with ongoing research focusing on its biodegradability and biocompatibility. A 2023 initiative by the European Chemicals Agency (ECHA) has prioritized the compound for further eco-toxicity assessment to support its classification under the REACH regulation. Additionally, machine learning algorithms are being employed to predict the reactivity patterns of 3-Isobutylaniline in complex reaction environments, accelerating the discovery of novel derivatives with tailored properties.

• 89807-73-8(Benzenamine, 4-[2-methyl-3-(4-methylphenyl)propyl]-)
• 68411-48-3(Benzenamine, dodecyl-,branched)
• 653604-39-8(Benzenamine, 3-(cyclopentylmethyl)-)
• 80861-25-2(Benzenamine, 3-(4-methyl-5-phenylpentyl)-)
• 60206-42-0(Benzenamine, 4-(1-methylpropyl)-, (S)-)
• 80861-26-3(Benzenamine, 3-[2-(phenylmethyl)butyl]-)
• 30090-17-6(4-Isobutylaniline)
• 30273-11-1(4-(butan-2-yl)aniline)
• 181288-08-4(Benzenamine,4-[(1R)-1-methylpropyl]-)
• 89807-77-2(Benzenamine, 4-(2-methyl-3-phenylpropyl)-)