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HRID 1485968作成日:2026年10月25日

Nitrogen → 4-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(methyl-o-tolyl-carbamoyl)-phenoxy]-butyric acid tert-butyl ester

https://huagongshe.com/reaction/1485968

反応式

関与物質

役割名称HCID仕込み量
反応物NitrogenHCID 947—
反応物Sodium CarbonateHCID 10340—
反応物5-Bromo-2-(trifluoromethyl)isonicotinonitrileHCID 56973315—
反応物4-[5-Chloro-2-(methyl-o-tolyl-carbamoyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-butyric acid tert-butyl esterHCID 68602277—
触媒HCID 178418397HCID 178418397—
溶媒WaterHCID 962—
溶媒1,4-DioxaneHCID 31275—
生成物4-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(methyl-o-tolyl-carbamoyl)-phenoxy]-butyric acid tert-butyl esterHCID 6860313299.6%

反応条件

温度100 °C

反応手順

4-[5-Chloro-2-(methyl-o-tolyl-carbamoyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-butyric acid tert-butyl ester (444.0 mg, 0.8 mmol), 5-bromo-2-trifluoromethyl-isonicotinonitrile (171.0 mg, 0.7 mmol), Pd(Ph3P)4 (78.6 mg, 0.07 mmol), Na2CO3 (432.0 mg, 4.1 mmol) in dioxane (9 mL) and water (1 mL) was degassed with N2 for 5 min, sealed, and heated at 100° C. for 12 hrs. The mixture was then partitioned between ethyl acetate and water. The organic layer was washed with water and brine, dried over MgSO4 and filtered. Concentration and purification by TLC plates eluting with ethyl acetate in hexanes (2/3) and again with TLC plates eluting with acetonitrile/dichloromethane (1/9) gave 4-[5-chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(methyl-o-tolyl-carbamoyl)-phenoxy]-butyric acid tert-butyl ester (410 mg). MS: 588.7 (M+H)+; tR=11.05 min (method 3).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US09422310B2
出典データセットuspto-grants-2016_08
ORD IDord-90d155467b404a6992ee1ca8d0bf670c
出典メモuspto-grants-2016_08