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CC1=CC(=C(C=C1)C(=O)CC#N)C製品情報
3-(2,4-dimethylphenyl)-3-oxopropanenitrile (CAS 53882-91-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
想定用途
専門的研究・工業用途限定
データベース ID 286552
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
10 反応 · 10 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-8c7e1634f0324dd2b9cd36eb8adf6564反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered. The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-d2fcdd94a4ee4d60b2b95900ef96e82e反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-8c7e1634f0324dd2b9cd36eb8adf6564反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of 2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-022eecaa108648fc95b14338ac93d377反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of 2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-022eecaa108648fc95b14338ac93d377反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of 2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-b59c66003b384a66a37586266f6ab7da反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered. The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-d2fcdd94a4ee4d60b2b95900ef96e82e反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of 2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-022eecaa108648fc95b14338ac93d377反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of 2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-b59c66003b384a66a37586266f6ab7da反応条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Under Ar(g), a solution of anhydrous acetonitrile (1.6 mL) in 35 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then slowly treated with 12 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 45 min. and then slowly treated with a solution of 5 gms. of 2,4-dimethyl-benzoic acid ethyl ester in 5 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is treated with 10% NaOH(aq) to dissolve solids and then extracted with ethyl acetate. The aqueous layer is acidified (pH 6) with HCl(aq) affording a white precipitate which subsequently is filtered. The organic layer is concentrated in vacuo and the residue is triturated with isopropanol resulting in the formation of additional white precipitate. The combined precipitates provide the desired 3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile in the amount of2.0011 gms. slowly treated with a solution of 5 gms to dissolve solids extracted with ethyl acetate affording a white precipitate which subsequently is filtered The organic layer is concentrated in vacuo the residue is triturated with isopropanol resulting in the formation of additional white precipitate The combined precipitates
ソース ID: ord-d2fcdd94a4ee4d60b2b95900ef96e82ePubChem References
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