ChemicalBook CAS DataBase List 4-ISOPROPOXYBENZOYLACETONITRILE

4-ISOPROPOXYBENZOYLACETONITRILE synthesis

4synthesis methods

Product Name:4-ISOPROPOXYBENZOYLACETONITRILE
CAS Number:884504-22-7
Molecular formula:C12H13NO2
Molecular Weight:203.24

122488-52-2
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75-05-8 Synthesis

75-05-8
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884504-22-7
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Yield:884504-22-7 92.4%

Reaction Conditions:

with potassium tert-butylate in tetrahydrofuran at 20; for 2 h;Solvent;Reagent/catalyst;

Steps:

4.3 4.1.3 3-(4-Isopropoxyphenyl)-3-oxopropanenitrile (5)

Potassium tert-butoxide (2.62 g, 23.3 mmol) and then immediatelyacetonitrile (2.40 g, 58.5 mmol) were added to a stirredmixture of compound 4 (2.43 g, 11.7 mmol) in anhydrous tetrahydrofuran(40 mL). The mixture was stirred at r.t. for 2 h and quenched by addition of H2O (50 mL). 12 M HCl (1 mL) and thenethyl acetate (50 mL) were added to the mixture. The mixture wasseparated and the organic phase was dried over with Na2SO4 andevaporated. The residue was purified by flash column chromatography(dichloromethane) on silica gel to yield compound 5 (2.19 g,92.4%) as a white solid. m.p. 65-66 °C; 1H NMR and 13C NMR dataare consistent with that previously reported [42].

References:

Kwon, Young-Do;Kang, Shinwoo;Park, Hyunjun;Cheong, Il-koo;Chang, Keun-A;Lee, Sang-Yoon;Jung, Jae Ho;Lee, Byung Chul;Lim, Seok Tae;Kim, Hee-Kwon [European Journal of Medicinal Chemistry,2018,vol. 159,p. 292 - 306]

35826-59-6 Synthesis