![](/CAS/GIF/1071167-49-1.gif)
Iloperidone-d3 synthesis
- Product Name:Iloperidone-d3
- CAS Number:1071167-49-1
- Molecular formula:C24H27FN2O4
- Molecular Weight:426.4806
![1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone-d3](/CAS/20140608/GIF/CB52508213.gif)
1071167-68-4
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![6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride](/CAS/GIF/84163-13-3.gif)
84163-13-3
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$10.00/1g
![Iloperidone-d3](/CAS/GIF/1071167-49-1.gif)
1071167-49-1
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$180.00/10mg
Yield:1071167-49-1 63%
Reaction Conditions:
with potassium carbonate in N,N-dimethyl-formamide at 90;
Steps:
2
Synthesis of 1-(4-(3-(4-(6-fluorobenzo[d] isoxazol-3-yl)piperidin-1-yl)propoxy)-(3-methoxy-d3)phenyl)ethanone (Compound 131). A mixture of 27 (0.68 g, 2.8 mmol), 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride (5, 0.71 g, 2.8 mmol) and potassium carbonate (0.77 g, 5.6 mmol) in DMF (10 mL) was heated at ~90° C. overnight. After cooling to room temperature, the solid was filtered, washed with DMF (100 mL) and the filtrate was concentrated under reduced pressure. The crude product was purified by column chromatography on silica gel using 0-10% methanol/dichloromethane to give 750 mg (63%) of Compound 131 as a yellow solid. 1H NMR (CDCl3) δ: 7.69 (q, 1H), 7.58 (m, 2H), 7.21 (m, 1H), 7.06 (m, 1H), 6.92 (d, 1H), 4.19 (t, 2H), 3.08 (m, 3H), 2.60 (t, 2H), 2.58 (s, 3H), 2.22-2.01 (overlap, 8H). HPLC (method: 20 mm C18-RP column-gradient method 2-95% ACN+0.1% formic acid in 3.3 min with 1.7 min hold at 95% ACN; Wavelength: 254 nm): retention time: 2.66 min. LCMS m/z=430.2 (M+H).
References:
US2008/255194,2008,A1 Location in patent:Page/Page column 13