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Methylamine → 3-(3,5-DI-Tert-butyl-4-hydroxyphenyl)-N-methyl-3-oxopropanamide

HRID 1771277
ノート
印刷プレビュー

反応式

HRID 1771277 の反応式
[C:1]([C:5]1[CH:6]=[C:7]([C:16](=[O:22])[CH2:17][C:18](OC)=[O:19])[CH:8]=[C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:10]=1[OH:11])([CH3:4])([CH3:3])[CH3:2].[CH3:23][NH2:24]>>[C:1]([C:5]1[CH:6]=[C:7]([C:16](=[O:22])[CH2:17][C:18]([NH:24][CH3:23])=[O:19])[CH:8]=[C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:10]=1[OH:11])([CH3:4])([CH3:3])[CH3:2]
参加物実験手順出典と根拠反応ノート

参加物

3

反応物 2

HCID 6329MethylamineHCID 866627073-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-oxo-propanoic acid methyl ester

生成物 1

HCID 866627063-(3,5-DI-Tert-butyl-4-hydroxyphenyl)-N-methyl-3-oxopropanamide

実験手順

A 500-mL flask was charged with methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-oxo-propanoate (24.3 g, 79.3 mmol) and a 40% methylamine solution (55 g). The solution was stirred for 2 h. The conversion of the starting material (Rf 0.91) to the title compound (Rf 0.4) was monitored by TLC using 1:1 ethyl acetate-hexane as solvent and UV detection of the substances. The solution was diluted with 2-propanol (100 mL) and evaporated. The solid residue was taken up in boiling 2-propanol (ca. 100 mL) and evaporated again. The residue was again taken up in boiling toluene (ca. 75 mL) and the hot solution was concentrated to afford a crystalline suspension. This suspension was re-dissolved by heating and the hot solution was diluted with cyclohexane (80 mL) to cause immediate crystallization. The suspension was homogenized by reheating, allowed to cool to room temperature, then refrigerated overnight and filtered. The filter cake washed with cyclohexane and hexane, dried to constant weight at 65° C. and 20 torr to afford 22.77 g of the title compound. This material was recrystallized by dissolving in boiling toluene (ca. 120 mL) followed by the addition of cyclohexane (100 mL). The suspension was allowed to cool to room temperature, then refrigerated and filtered. The filter cake was washed with cyclohexane then hexane and dried to constant weight at 65° C. and 20 ton to afford 22.03 g of the title compound (91%). TLC (1:1 ethyl acetate-hexane) Rf 0.48; 1H-NMR (300 MHz, DMSO-d6) δ 1.37 (9H, s), 2.57 (3H, d, J=4.6 Hz), 3.73 (2H s), 7.73 (2H, s), 7.85 (1H, s), 8.08 (1H, br s).

出典と根拠

ORDレコード
ord-f42a60aa79d04d15bb8b76a266b858ec
出典データセット
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09249107B2

反応ノート

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