Name is 3-Piperazinobenzisothiazole hydrochloride, as a common heterocyclic compound, it belongs to isothiazole compound, and cas is 87691-88-1, its synthesis route is as follows.
EXAMPLE 96; 1-f7-r2- (4-Benzordlisothiazol-3-vl-piperazin-1-yl)-ethvll-3, 4-dihvdro-1 H- isoauinolin-2-vl-2. 2, 2-trifluoro-ethanone methane sulfonate; A mixture of 3-piperazin-1-yl-benzo [d] isothiazole hydrochloride (0.4056 g, 1.417 mmol), 1- [7- (2-chloro-ethyl)-3, 4-dihydro-1 H-isoquinolin-2-yl]-2, 2, 2-trifluoro- ethanone (0.3755 g, 1.287 mmol), anhydrous sodium carbonate (0.3019 g, 2. 848 mmol) and potassium iodide (0.0259 g, 0.156 mmol) in acetonitrile (10 mL) was allowed to react at 175 C for 0.5 h in a microwave reactor. The reaction was cooled to ambient temperature. CH2CI2 and H20 were added and the solution was mixed well then poured into a phase separator. The organic layer was concentrated in vacuo to give an oil. The oil was eluted through a flash column (silica gel 60, 230- 400 mesh, 30-100% EtOAc in CH2CI2 gradient over 1 h) to give a white waxy/gummy solid. Yield : 0.4106 g (0.865 mmol, 67 %). The solid (0.405 g, 0.853 mmol) was taken up in THF (8.5 mL) and heated to 40 C. Methanesulfonic acid (55. 5 J. L, 0.855 mmol) was added and after 5 min, the reaction was allowed to cool to ambient temperature. The product was allowed to crystallize overnight. Hexanes were added to the reaction mixture and the solid was filtered and washed with hexanes. The wet solid was dried in a vacuum oven at 50 C to give a white/off-white crystalline solid as the mesylate salt. Anal. calculated for C24H25F3N40SsCH403S : C, 52.62 ; H, 5.12 ; N, 9.82. Found: C, 52.36, H, 4.98 ; N, 9. 69.’H NMR (400 MHz, CDCI3) 8 11.66 (s, 1 H), 7.84 (d, J=7. 42 Hz, 2 H), 7.52 (m, 2 H), 7.41 (m, 1 H), 7.12 (m, 2 H), 4.76 (m, 4 H), 4.17 (m, 2 H), 4.00 (m, 4 H), 3.82 (m, 2 H), 3.27 (m, 3 H), 2.91 (m, 6 H).
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Reference£º
Patent; WARNER-LAMBERT COMPANY LLC; WO2005/66165; (2005); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com