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HRID 16965作成日:2026年10月25日

Ethanol → ethyl 3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate

https://huagongshe.com/reaction/16965

反応式

関与物質

役割名称HCID仕込み量
反応物EthanolHCID 702—
反応物Pentanenitrile, 4,4-dimethyl-3-oxo-HCID 108871—
反応物3-Hydrazinobenzoic acid hydrochlorideHCID 12891863—
生成物3-(3-tert-butyl-5-amino-1H-pyrazol-1-yl)benzoic acidHCID 2186728436%
生成物ethyl 3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoateHCID 2186732240%

反応手順

A mixture of 3-hydrazino-benzoic acid hydrochloride (200 g, 1.06 mol) and 4,4-dimethyl-3-oxo-pentanenitrile (146 g, 1.167 mol) in ethanol (2 L) was heated to reflux overnight. The reaction solution was evaporated under reduced pressure. The residue was purified by column chromatography to give 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid ethyl ester (116 g, 40%) as a white solid together with 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid (93 g, 36%). 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid and ethyl ester: 1H NMR (DMSO-d6): 8.09 (s, 1H), 8.05 (brd, J=8.0 Hz, 1H), 7.87 (br d, J=8.0 Hz, 1H), 7.71 (t, J=8.0 Hz, 1H), 5.64 (s, 1H), 4.35 (q, J=7.2 Hz, 2H), 1.34 (t, J=7.2 Hz, 3H), 1.28 (s, 9H).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US07737283B2
出典データセットuspto-grants-2010_06
ORD IDord-315b1afd26454fa2ab2fcc1706f1cbe3
出典メモuspto-grants-2010_06