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CAS No. : | 1255207-11-4 | MDL No. : | MFCD24678327 |
Formula : | C10H8O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 176.17 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium tris(acetoxy)borohydride; In cis-1,2-Dichloroethylene; for 16h; | tert-Butyl piperidine-4-carboxylate (2.84 g, 15.33 mmol) and 2-(1-oxo-1,3- dihydroisobenzofuran-5-yl)acetaldehyde(4.05 g, 22.99 mmol) were dissolved in DCE (120m1) then sodium triacetoxyborohydride (9.75 g, 46.0 mmol) was added and and the mixtue was stirred for 16 hrs. The reaction mixture was poured into aqueous NaHCO3 solution and extractedwith DCM. The organic layer was separated and dried over Na2504, filtered and concentrated. The crude residue was chromatographed through a 330g ISCO Redi-sep column and eluted with 5percent (NHOH: MeOH 1:9) in 95percent DCM to yield tert-butyl 1-(2-(1-oxo-1,3- dihydroisobenzofuran-5-yl)ethyl)piperidine-4-carboxylate. LC-MS (IE, m/z): 346 [M + 1]±; lHNMR (500 MHz, CDC13) oe ppm 7.859 (d, J= 7.9 Hz, 1H), 7.394 (d, J= 8.0 Hz, 1H), 7.352 (s,1H), 5.311 (s, 2H), 2.965 (b, 4H), 2.641 (b, 2H), 2.234 (b, 1H), 2.139 (b, 2H), 1.925(d, J 9.5 Hz, 2H), 1 .788( t, J 11.5 Hz, 2H,) 1.447 (s, 9H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium cyanoborohydride; In methanol; at 0 - 20℃; for 12.0h; | To a solution of (1-oxo-1,3-dihydro-2-benzofuran-5-yl)acetaldehyde (0.495 g, 2.8 mmol) and <strong>[886779-69-7]tert-butyl 3-(trifluoromethyl)piperazine-1-carboxylate</strong> (0.65 g, 2.6 mmol) in methanol (5 ml) at 0 C was added sodium cyanoborohydride (0.21 g, 3.3 mmol) and the reaction stirred 12 hours at RT. The reaction mixture was concentrated and diluted with water. The aqueous was extracted with dichloromethane and the combined organics washed with brine, dried (MgSO4), filtered and concentrated. MPLC chromatography (2 ? 20% EtOAc:hexane) provided tert-butyl 4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]-3-(trifluoromethyl)piperazine-1-carboxylate. LC-MS (IE, m/z): 415.1 [M + 1]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
73.5% | With sodium tris(acetoxy)borohydride; In dichloromethane; at 20℃; for 14h; | To a solution of <strong>[226942-29-6]6-bromo-1,2,3,4-tetrahydroisoquinoline</strong> (0.700 g, 3.30 mmol) in DCM (30 mL) was added Intermediate 1-13 (0.640 g, 3.63 mmol) followed by sodium triacetoxyborohydride (1.40 g, 6.60 mmol). The resulting reaction mixture was stirred at ambient temperature for 14 h. The reaction mixture was diluted by water (50 mL) and extracted with DCM (2 x 50 mL). The combined extracts were washed with brine (50mL), dried over anhydrous sodium sulfate and concentrated. The crude was washed withdiethyl ether (2 x 50 mL) to afford Intermediate 6A (1.05 g, 73.5 %) as a brown solid. ?HNIVIR (400 MHz, DMSO-d6) ppm 2.70-2.80 (m, 6 H), 2.99 (t, J= 10 Hz, 2 H), 3.59 (s, 2H), 5.37 (s, 2 H), 7.03 (d, J= 10.8 Hz, 1 H), 7.27 (d, J= 2.4 Hz, 1 H), 7.31 (s, 1 H), 7.50(d, J= 10.4 Hz, 1 H), 7.56 (s, 1 H), 7.76 (d, J= 10.4 Hz, 1 H). LCMS (MethodR):retention time 1.03 mi (M+H) 374.2. |