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HRID 2390400作成日:2026年10月25日

Potassium Phosphate, Tribasic → 4-(3-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-7-isoquinolinyl)benzonitrile

https://huagongshe.com/reaction/2390400

反応式

関与物質

役割名称HCID仕込み量
反応物Potassium Phosphate, TribasicHCID 62657—
反応物4-Cyanophenylboronic acidHCID 2734326—
反応物7-bromo-3-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}isoquinolineHCID 67104692—
触媒HCID 178418476HCID 178418476—
溶媒IsopropanolHCID 3776—
生成物4-(3-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-7-isoquinolinyl)benzonitrileHCID 10450006—

反応条件

温度62.5 °C

反応手順

The product from Example 52G (0.2 g, 0.6 mmol), 4-cyanophenylboronic acid (0.22 g, 1.5 mmol), bis(triphenylphosphine)palladium dichloride (55 mg, 0.08 mmol), and potassium phosphate (7 mL, 0.2 M in water) were combined in isopropanol (7 mL) and heated at 60-65° C. for 7 hours in a sealed flask. The mixture was filtered through diatomaceous earth, the filtrate was concentrated in vacuo, and then partitioned between MTBE (10 mL) and water (10 mL). The organic layer was separated, washed with aqueous sodium bicarbonate solution (5%, 10 mL), and then extracted with a solution of 2M HCl (15 mL). The pH of the acidic aqueous layer was adjusted with base using potassium carbonate and extracted with isopropyl acetate (15 mL). The organic layer was evaporated in vacuo and the residue was chased with heptane (10 mL) to provide the title compound. 1H NMR (CDCl3) δ 1.12 (d, J=6.0 Hz, 3H); 1.37-1.50 (m, 1H); 1.64-1.85 (m, 2H); 1.85-1.98 (m, 1H); 2.26 (q, J=8.8. Hz, 1H); 2.32-2.43 (m, 1H); 2.50-2.60 (m, 1H), 3.09-3.34 (m, 4H); 7.56 (m, 1H); 7.73-7.81 (m, 4H), 7.84-7.87 (m, 2H), 8.12 (m, 1H); 9.26 (s, 1H); HRMS Calcd. for [C23H23N3+H+]: 342.1970. Found: 342.1974.

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08273767B2
出典データセットuspto-grants-2012_09
ORD IDord-f21335c3ae8040268b2f7b79146b07b1
出典メモuspto-grants-2012_09