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HRID 58281作成日:2026年10月25日

Water → 7-(1-azidoethyl)-6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

https://huagongshe.com/reaction/58281

反応式

関与物質

役割名称HCID仕込み量
反応物WaterHCID 962—
反応物Sodium CarbonateHCID 10340—
反応物3-Fluorophenylboronic acidHCID 2733986—
反応物7-(1-azidoethyl)-6-bromo-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-oneHCID 58111438—
触媒HCID 178418397HCID 178418397—
溶媒Ethyl AcetateHCID 8857—
溶媒1,4-DioxaneHCID 31275—
生成物7-(1-azidoethyl)-6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-oneHCID 5811140261%

反応条件

温度100 °C

反応手順

To a mixture of 7-(1-azido ethyl)-6-bromo-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one (0.50 g, 1.6 mmol) and (3-fluorophenyl)boronic acid (0.27 g, 1.9 mmol) in 1,4-dioxane (10 mL) was added 1 N solution of sodium carbonate in water (2.1 mL, 2.1 mmol) and tetrakis(triphenylphosphine)palladium(0) (0.092 g, 0.080 mmol). The mixture was stirred at 100° C. overnight. After cooling, the mixture was diluted with ethyl acetate, washed with water, dried over Na2SO4, concentrated and purified on silica gel (0-40% ethyl acetate/hexanes) to give the desired product (0.32 g, 61%). LCMS calculated for C15H13FN5OS (M+H)+: m/z=330.1. Found: 330.0. The product was subjected to chiral HPLC separation (ChiralPak IA Column: 20×250 mm, 5 μm; Mobile Phase: 10% Ethanol 90% Hexanes; Flow Rate: 18 mL/min) to give two enantiomers. On analytic HPLC (ChiralPak IA Column: 4.6×250 mm, 5 μm; Mobile Phase: 10% Ethanol-90% Hexanex; Flow Rate: 1 mL/min), the first enantiomer has retention time of 6.38 minutes and the second peak has retention time of 6.99 minutes.

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US09434746B2
出典データセットuspto-grants-2016_09
ORD IDord-480775767c964c8e9be65be048f43edb
出典メモuspto-grants-2016_09