Vinyl bromides undergo the Heck reaction, which involves C-C coupling with alkene to give substituted alkenes. 5392-10-9, formula is C9H9BrO3, Name is 2-Bromo-4,5-dimethoxybenzaldehyde. Methyl bromide is a precursor in the manufacture of several chemicals and is employed as a soil sterilant, mainly for seed production. Electric Literature of 5392-10-9.
Lalvani, Khushbu K.;Socha, Bhavesh N.;Patel, Urmila H.;Gandhi, Sahaj;Alalawy, Mohammed Dawood;Barot, V. M.;Patel, Mukesh research published 《 Synthesis, crystallographic investigation, DFT studies and Hirshfeld surface analysis of novel bromo hydrazine derivative: (E)-2-(2-bromo-4,5-dimethoxybenzilidene)-1-(4,5-dimethoxy-2-methylphenyl)-1-hydroxyhydrazine》, the research content is summarized as follows. A novel bromo hydrazine derivative: (E)-2-(2-bromo-4,5-dimethoxybenzilidene)-1-(4,5-dimethoxy-2-methylphenyl)-1-hydroxyhydrazine is synthesized and characterized by different relevant techniques. The optical bonding conformed using 1H NMR spectroscopic and Uv-vis studies. The crystallog. data confirmed that the bromo hydrazine derivative crystalizes in monoclinic space group P21/n and consists of bromo dimethoxy Ph ring and Me dimethoxy Ph ring interlinked to each other via hydrazide moiety. The mol. geometry, HOMO-LUMO (frontier MO) energies, Mol. electrostatic potential (MEP), MPA (Mulliken population anal.), NBO (natural bond orbital), hypercharge polarizability of the title compound has been explored using D. Functional Theory (DFT) calculation via B3LYP method with LAV2P** basis set. Moreover, to visualize the intermol. interactions and their distribution over the crystal structure, Hirshfeld surfaces and 3D energy framework analyses have been investigated using Crystal Explorer 17.5. In the absence of conventional forces, the weak but collective contribution of C-H… O/N/Br interactions along with direction specific π…π, C-H…π interaction having highest contribution from dispersion energy responsible for mol. stability. Lipophilicity index (log P value) represents significant biol. activity of the mol., correlates well with the contribution of C-H…π interaction. The probable binding modes between title mol. with different active sites of S. aureus (PDB code: 4ALI), E. coli (PDB code: 1QG6), colon cancer (PDB code: 2hq6), lung cancer (PDB code: 1x2j) and 1BNA (DNA) receptors are investigated by mol. docking studies using ArgusLab software.
5392-10-9, 2-Bromo-4,5-dimethoxybenzaldehyde is a useful research compound. Its molecular formula is C9H9BrO3 and its molecular weight is 245.07 g/mol. The purity is usually 95%.
2-Bromo-4,5-dimethoxybenzaldehyde is a synthetic compound that has been shown to be an effective agent for inducing apoptosis in leukemia cells. It is an efficient method for synthesizing the compound and ha2-Bromo-4,5-dimethoxybenzaldehyde induces cell death by topoisomerase-mediated DNA cleavage, which results in chromosomal fragmentation and high levels of reactive oxygen species in the cell., Electric Literature of 5392-10-9
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary