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1-(Azidomethyl)-4-methoxybenzene → ethyl 4-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate

HRID 1293556
ノート
印刷プレビュー

反応式

HRID 1293556 の反応式
[CH:1]([O:4][C:5]1[C:6]([O:23][CH3:24])=[CH:7][C:8]([N+:20]([O-:22])=[O:21])=[C:9]([CH:11]([OH:19])[C:12]#[C:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH:10]=1)([CH3:3])[CH3:2].[CH3:25][O:26][C:27]1[CH:36]=[CH:35][C:30]([CH2:31][N:32]=[N+:33]=[N-:34])=[CH:29][CH:28]=1>C1(C)C=CC=CC=1>[OH:19][CH:11]([C:9]1[CH:10]=[C:5]([O:4][CH:1]([CH3:3])[CH3:2])[C:6]([O:23][CH3:24])=[CH:7][C:8]=1[N+:20]([O-:22])=[O:21])[C:12]1[N:34]=[N:33][N:32]([CH2:31][C:30]2[CH:35]=[CH:36][C:27]([O:26][CH3:25])=[CH:28][CH:29]=2)[C:13]=1[C:14]([O:16][CH2:17][CH3:18])=[O:15]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 109317671-(Azidomethyl)-4-methoxybenzeneHCID 22222636Ethyl 4-(5-isopropoxy-4-methoxy-2-nitrophenyl)-4-hydroxy-2-butynoate

生成物 1

HCID 22222576ethyl 4-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate収率 75%

試薬・触媒・溶媒 1

HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

1.5 N butyl lithium (22.6 ml, 33.8 mmol) was added to a solution of diisopropylamine (5.0 ml, 36.0 mmol) in tetrahydrofuran (75 ml) under an argon atmosphere at −78° C., and the mixture was stirred for one hr. Ethyl propiolate (2.9 ml, 28.2 mmol) and a solution of 5-isopropoxy-4-methoxy-2-nitrobenzaldehyde (4.5 g, 18.8 mmol) in tetrahydrofuran (50 ml) were then added thereto in that order, and the mixture was stirred at −78° C. for additional 1.5 hr. A solution of acetic acid (5.9 ml, 102 mmol) in tetrahydrofuran (20 ml) was added to the reaction solution. Water was then added thereto, followed by extraction with ethyl acetate. The organic layer was washed with dilute hydrochloric acid, water, a saturated aqueous sodium hydrogencarbonate solution, and saturated brine solution. The organic layer was dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure to give ethyl 4-(5-isopropoxy-4-methoxy-2-nitrophenyl)-4-hydroxy-2-butynoate (7.27 g). The resultant ethyl 4-(5-isopropoxy-4-methoxy-2-nitrophenyl)-4-hydroxy-2-butynoate was dissolved in toluene (60 ml). 4-Methoxybenzyl azide (9.2 g, 56.4 mmol) was added to the solution. The mixture was heated at 100° C. with stirring overnight. The reaction solution was cooled to room temperature. The solvent was evaporated under reduced pressure. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=1:2) to give a 1:1 mixture (7.01 g, 75%) of ethyl 4-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate (a-1: low polar product (LP)) and ethyl 5-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate (a-2: high polar product (MP)).

後処理

  1. temperatureThe reaction solution was cooled to room temperature
  2. customThe solvent was evaporated under reduced pressure
  3. customThe residue was purified by column chromatography on silica gel (hexane:ethyl acetate=1:2)

出典と根拠

ORDレコード
ord-b2ef7d1e48cc4308a71c3205a80b762f
出典データセット
uspto-grants-2007_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07238812B2

反応ノート

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