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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 33334생성일: 2026년 10월 23일

Triethylamine → 3-Amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl ester

https://huagongshe.com/ko/reaction/33334

반응식

참여 물질

역할이름HCID투입량
반응물TriethylamineHCID 8471—
반응물Benzene, 1-chloro-4-ethynyl-HCID 70118—
반응물Methyl 2-iodo-3-nitrobenzoateHCID 264093—
촉매Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
촉매Tetrakis(triphenylphosphine)palladiumHCID 11979704—
용매TolueneHCID 1140—
생성물3-Amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl esterHCID 18340004—

반응 조건

온도80 °C

반응 단계

2-iodo-3-nitro-benzoic acid methyl ester (0.79 g, 2.84 mmol), 1-chloro-4-ethynylbenzene (0.41 g, 2.99 mmol), palladium tetrakis(triphenylphosphine) (0.16 g, 0.14 mmol), copper (I) iodide (0.03 g, 0.14 mmol), and triethylamine (1.44 g, 14.19 mmol) were dissolved in 15 mL toluene. Argon was bubbled through the resulting solution for 15 min. The reaction was stirred under argon at 80° C. for 2 h and 20 min. The reaction mixture was then washed once with water, dried (MgSO4), and concentrated in vacuo. The orange oil was purified by flash chromatography eluting with 50 to 100% CHCl3/hexanes to yield 3-amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl ester, 0.76 g (94%) as a yellow oil. 1H NMR (300 MHz, d6-DMSO) δ 3.84 (s, 3H), 5.84 (br s, 2H), 6.97 (dd, J=8.1, 1.3 Hz, 1H), 7.05 (dd, J=7.5, 1.2 Hz, 1H), 7.17 (app t, J=7.5 Hz, 1H), 7.49 (d, J=8.7 Hz, 2H), 7.63 (d, J=8.7 Hz, 2H). MS (electrospray, MH+) 286.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07429578B2
출처 데이터셋uspto-grants-2008_09
ORD IDord-c91e41adde3e4db7afd98cf266b7aeae
출처 메모uspto-grants-2008_09