Isoquinoline can crystallizes in platelets that have a low solubility in water but dissolve well in ethanol, acetone, diethyl ether, carbon disulfide, and other common organic solvents. 1532-97-4, formula is C9H6BrN, Name is 4-Bromoisoquinoline. It is also soluble in dilute acids as the protonated derivative. Application In Synthesis of 1532-97-4.
Mu, Liying;Fan, Wenjing;Yuan, Xiang-Ai;Huang, Congcong;Li, Dan;Bi, Siwei research published 《 Mechanistic insights into the C(sp3)-H heteroarylation of amides and Fukui function analysis of regioselectivity》, the research content is summarized as follows. A computational study is carried out to understand the mechanism and excellent regioselectivity in metal-free heteroarylation of amides reported by Zhu’s group. The heteroarylation reaction started with the initial generation of key nitrogen-centered radicals via ligand exchange between reactant 1a and initiator PIFA under visible-light irradiation Following, this reaction undergoes four-stages: 1,5-hydrogen atom transfer, C-C coupling, single electron transfer and proton transfer. The C-C coupling step is identified as the selectivity-determining step in which the carbon-centered radical (C) selectively only attacks the carbon atom adjacent to nitrogen of lepidine (2a). And the radical C more easily attacks the protonated 2a, compared with unprotonated 2a, due to significantly lowered SOMO/LUMO energy difference between them to promote this nucleophilic radical addition From the calculated result, we can see that the pos. effect of the acidity of the reaction substrates on the nucleophilic addition to heteroarenes. Fukui functions of different types of heteroarene substrates are calculated to predict the favorable nucleophilic sites. The calculated most favorable reactive sites of heteroarene substrates are well consistent with the exptl. observed ones. This theor. research provides deeper understandings for the underlying mechanism and the origin of exclusive regioselectivity of the heteroarylation of amides.
Application In Synthesis of 1532-97-4, 4-Bromoisoquinoline, also known as 4-Bromoisoquinoline, is a useful research compound. Its molecular formula is C9H6BrN and its molecular weight is 208.05 g/mol. The purity is usually 95%.
4-Bromoisoquinoline is an aryl halide that can be used in the cross-coupling reaction with other aryl halides. It has been shown to have anticancer activity and to inhibit the growth of tumour cell lines in vitro. This compound is also efficient for inhibiting leukemia cells. 4-Bromoisoquinoline has been shown to have an inhibitory effect on cancer cells through the inhibition of DNA synthesis and RNA transcription, as well as by inducing apoptosis. The mechanism of action may be due to its ability to bind to aromatic hydrocarbons and halides, which leads to thermodynamic changes and vibrational energy transfer., 1532-97-4.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem