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. Synthetic Route of 1532-97-4.
Wehrle, Robert J.;Rosen, Alexander;Nguyen, Thu Vu;Koons, Kalyn;Jump, Eric;Bullard, Mason;Wehrle, Natalie;Stockfish, Adam;Hare, Patrick M.;Atesin, Abdurrahman;Atesin, Tulay A.;Ma, Lili research published 《 Investigation on the Synthesis, Application and Structural Features of Heteroaryl 1,2-Diketones》, the research content is summarized as follows. A set of unsym. heteroaryl 1,2-diketones RC(O)C(O)Ar [R = i-Pr, Ph, 4-FC6H4, etc.; Ar = 3-pyridinyl, 2-pyrazinyl, 6-quinolinyl, etc.] were synthesized by a heteroarylation/oxidation sequence with up to 65% isolated yields. Palladium catalyst XPhos Pd G4 and SeO2 were the key reagents used in this methodol., and microwave irradiation was utilized to facilitate an efficient and ecofriendly process. The application of heteroaryl 1,2-diketones was demonstrated through the synthesis of an unsym. 2-phenyl-3-(pyridin-3-yl)quinoxaline I from 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione. The lowest energy conformations of 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione and I were located using D. Functional Theory (DFT) at the M06-2X/def2-TZVP level of theory. Two lowest energy conformations of 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione differed with respect to the position of the N atom in the pyridyl ring and 0.27 kcal/mol energy difference between them corresponds to 60.4 and 39.6% at 50 ° C in toluene. Four lowest energy conformations for I had the energy differences of 0.01, 0.03 and 0.07 kcal/mol that corresponds to 26.0, 25.7, 24.9 and 23.4%, resp. A comparison of 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione and I to the less hindered analogs (oxalyl chloride and oxalic acid) was used to investigate the structural features and bonding using Natural Bond Orbital (NBO) anal.
Synthetic Route 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