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HRID 241338作成日:2026年10月25日

Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1) → trans-3-[4-(4-Chloro-phenyl)-[1,4]diazepan-1-yl]4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester

https://huagongshe.com/reaction/241338

反応式

関与物質

役割名称HCID仕込み量
反応物Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1)HCID 2734307—
反応物tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylateHCID 10103880—
反応物1-(4-Chlorophenyl)-1,4-diazepaneHCID 21363820—
溶媒AcetonitrileHCID 6342—
生成物trans-3-[4-(4-Chloro-phenyl)-[1,4]diazepan-1-yl]4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl esterHCID 5798239243.1%

反応条件

温度80 °C

反応手順

To a solution of 1-(4-Chloro-phenyl)-[1,4]diazepane (1.00 g, 4.80 mmol) in acetonitrile (10 mL) was added 6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester (0.925 g, 5.00 mmol) and calcium(II) trifluoromethanesulfonate (0.676 g, 2.00 mmol). The solution was stirred at 80° C. for 17 hours under nitrogen atmosphere. The reaction was concentrated in vacuo. The residue was diluted with saturated aqueous sodium bicarbonate (50 mL) and extracted with ethyl acetate (3×30 mL). The combined organics were washed with brine, dried over MgSO4, and evaporated. The residue was purified by silica gel chromatography (gradient ethyl acetate to 87:10:3 ethyl acetate:methanol:triethylamine) to yield 0.819 g (41%) of the title compound. ESI-MS m/z: 396 (M+1), FAS method rt: 1.25 min

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08648197B2
出典データセットuspto-grants-2014_02
ORD IDord-45e3e4ee8cc84eaa8b79cf3bf8b1cf97
出典メモuspto-grants-2014_02