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HRID 526461作成日:2026年10月23日

Hydrochloric Acid → HCID 178509613、化合物

https://huagongshe.com/ja/reaction/526461

反応式

関与物質

役割名称HCID仕込み量
反応物Hydrochloric AcidHCID 313—
反応物1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 15908—
反応物1-HydroxybenzotriazoleHCID 75771—
反応物DiisopropylethylamineHCID 81531—
反応物CyclopropaneethanamineHCID 10240761—
反応物HCID 178509615HCID 178509615—
溶媒MethanolHCID 887—
溶媒WaterHCID 962—
溶媒DimethylformamideHCID 6228—
生成物HCID 178509613HCID 178509613—

反応手順

Combined HOBT (66.2 mg, 0.490 mmol) and EDCI (94 mg, 0.490 mmol), a solution 6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid (100 mg, 0.327 mmol, in DMF (1 mL)) and Hunig's base (169 mg, 1.306 mmol) in DMF (1 mL). Then 2-cyclopropylethanamine (41.7 mg, 0.490 mmol) was added and the reaction was stirred at ambient temperature for 14 h. The reaction mixture was diluted with MeOH (2 mL) and water (3 mL) and acidified to pH 4 using 1 N HCl to give a solid which were collected by filtration and recrystallized from MeOH to give the title compound as a solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.01-0.14 (m, 2H) 0.35-0.49 (m, 2H) 0.68-0.81 (m, 1H) 1.46 (q, J=7.07 Hz, 2H) 3.27-3.43 (m, 2H) 7.79 (d, J=8.59 Hz, 2H) 8.14 (d, J=6.32 Hz, 2H) 8.34-8.79 (m, 4H) 8.85-8.97 (m, 1H) 13.53 (br. s., 1H). MS m/z [M+H]+ 374.2.

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US09345713B2
出典データセットuspto-grants-2016_05
ORD IDord-be6b6c9d97b242b09f0364323edfe295
出典メモuspto-grants-2016_05