Vinyl bromides undergo the Heck reaction, which involves C-C coupling with alkene to give substituted alkenes. 5445-17-0, formula is C4H7BrO2, Name is Methyl 2-bromopropanoate. Methyl bromide is a precursor in the manufacture of several chemicals and is employed as a soil sterilant, mainly for seed production. Quality Control of 5445-17-0.
Kojima, Eiichi;Iimuro, Atsuhiro;Nakajima, Mado;Kinuta, Hirotaka;Asada, Naoya;Sako, Yusuke;Nakata, Zenzaburo;Uemura, Kentaro;Arita, Shuhei;Miki, Shinobu;Wakasa-Morimoto, Chiaki;Tachibana, Yuki research published 《 Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template》, the research content is summarized as follows. A novel strategy for lead identification that we have dubbed the “Pocket-to-Lead” strategy is demonstrated using HIV-1 protease as a model target. Sometimes, it is difficult to obtain hit compounds because of the difficulties in satisfying the complex pharmacophoric features. In this study, a virtual fragment hit which does not match all of the pharmacophore features but has key interactions and vectors that could grow into remaining pharmacophore features was optimized in silico. The designed compound 9 demonstrated weak but evident inhibitory activity (IC50 = 54 μM), and the design concept was proven by the co-crystal structure. Then, structure-based drug design promptly gave compound 14 (IC50 = 0.0071 μM, EC50 = 0.86 μM), an almost 10,000-fold improvement in activity from 9. The structure of the designed mols. proved to be novel with high synthetic feasibility, indicating the usefulness of this strategy to tackle tough targets with complex pharmacophore.
Quality Control of 5445-17-0, Methyl 2-bromopropionate, also known as Methyl 2-bromopropionate, is a useful research compound. Its molecular formula is C4H7BrO2 and its molecular weight is 167 g/mol. The purity is usually 95%.
Methyl 2-bromopropionate is used in the synthesis of poly(ADP-Ribose)polymerase inhibitors derived from benzoxazin-3-one. Also used in the synthesis of 5-HT2C antagonists affecting serotonin levels.
Methyl 2-bromopropanoate is a chemical compound that can be synthesized in an asymmetric manner. The reaction of methyl 2-bromopropanoate with hydrochloric acid gives the corresponding carboxylic acid, methyl propanoate, and hydrogen bromide in a 1:1 ratio. It has been shown that methyl 2-bromopropanoate is a potential catalyst for the reduction of chloride to chloride ion via the borohydride reduction method. Methyl 2-bromopropanoate has also been used as a model system for studying halides and copper complexes. Magnetic resonance spectroscopy studies have revealed that this chemical compound has a high redox potential and kinetic properties., 5445-17-0.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary