Bromination reactions are crucial in today's chemical industry since the versatility of the formed organobromides makes them suitable building blocks for numerous syntheses. However, the use of the toxic and highly reactive molecular bromine (Br) makes these brominations very challenging and hazardous. We describe here a safe and straightforward protocol for bromination in continuous flow. The hazardous Br or KOBr is generated in situ by reacting an oxidant (NaOCl) with HBr or KBr, respectively, which is directly coupled to the bromination reaction and a quench of residual bromine. This protocol was demonstrated by polybrominating both alkenes and aromatic substrates in a wide variety of solvents, with yields ranging from 78% to 99%. The protocol can easily be adapted for the bromination of other substrates in an academic and industrial environment.
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http://dx.doi.org/10.3390/molecules24112116 | DOI Listing |
Heliyon
January 2025
The African Computational Genomics (TACG) Research Group, MRC/UVRI, and LSHTM, Entebbe, Uganda.
Isoxazole and oxadiazole derivatives inhibiting 3-hydroxykynurenine transaminase (3HKT) are potential larvicidal candidates. This study aims to identify more suited potential inhibitors of 3HKT (3HKT) through molecular docking and molecular dynamics simulation. A total of 958 compounds were docked against 3HKT (PDB ID: 2CH2) using Autodock vina and Autodock4.
View Article and Find Full Text PDFChemphyschem
January 2025
Shanxi University, Institute of Molecular Science, CHINA.
Delocalized multicenter bonds play a crucial role in clusters with a planar hypercoordinate center(s), making it difficult for highly electronegative elements, especially halogen atoms, to achieve the planar hypercoordinate arrangement. Herein, we introduce a star-like cluster Br6Li5-, whose global minimum contains a planar pentacoordinate bromine (ppBr). In this cluster, the central ppBr atom coordinates with five alkali metal Li atoms, which in turn bridge an equal number of electronegative Br atoms in the periphery, leading to the formation of the binary cluster Br6Li5-.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The functional properties of tetraaryl compounds, M(aryl) (M = transition metal or group 14 element), are dictated not only by their common tetrahedral geometry but also by their central atom. The identity of this atom may serve to modulate the reactivity, electrochemical, magnetic, and optical behavior of the molecular species, or of extended materials built from appropriate tetraaryl building blocks, but this has not yet been systematically evaluated. Toward this goal, here we probe the influence of Os(IV), C, and Si central atoms on the spectroelectrochemical properties of a series of redox-active tetra(ferrocenylaryl) complexes.
View Article and Find Full Text PDFSe Pu
February 2025
CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Chemical modifications are widely used in research fields such as quantitative proteomics and interaction analyses. Chemical-modification targets can be roughly divided into four categories, including those that integrate isotope labels for quantification purposes, probe the structures of proteins through covalent labeling or cross-linking, incorporate labels to improve the ionization or dissociation of characteristic peptides in complex mixtures, and affinity-enrich various poorly abundant protein translational modifications (PTMs). A chemical modification reaction needs to be simple and efficient for use in proteomics analysis, and should be performed without any complicated process for preparing the labeling reagent.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Energy Science & Engineering, Daegu Gyeongbuk Institute of Science and Technology (DGIST), 333, Techno Jungang Daero, Hyeonpung-Eup, Dalseong-Gun, Daegu 42988, Republic of Korea.
Poly[(9,9-dioctylfluorenyl-2,7-diyl)--(4,4'-(-(4-butylphenyl)))] (TFB) is a widely used hole transport material (HTM) in quantum dot light-emitting diodes (QLEDs). However, TFB-based solution-processed QLEDs face several challenges, including interlayer erosion, low hole mobility, shallow energy level of the highest occupied molecular orbital, and current leakage, which compromise the device efficiency and stability. To overcome these challenges, bromine and azide-based photothermally cross-linkable TFB derivatives, i.
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