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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 84576생성일: 2026년 10월 24일

Trifluoroacetic acid → 3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2-chloro-4-(trifluoromethyl)phenyl)-4H-1,2,4-triazole

https://huagongshe.com/ko/reaction/84576

반응식

참여 물질

역할이름HCID투입량
반응물Trifluoroacetic acidHCID 6422—
반응물DiisopropylethylamineHCID 81531—
반응물2-Chloro-4-trifluoromethylanilineHCID 162001—
반응물2-(9-Bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulen-2-yl)-[1,3,4]oxadiazoleHCID 66886809—
용매TolueneHCID 1140—
생성물3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2-chloro-4-(trifluoromethyl)phenyl)-4H-1,2,4-triazoleHCID 5790030736.3%

반응 조건

온도160 °C

반응 단계

A microwave tube charged with 2-(9-bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulen-2-yl)-[1,3,4]oxadiazole (200 mg; 0.57 mmol), 2-chloro-4-trifluoromethylaniline (0.12 ml; 0.86 mmol), TFA (64 μl; 0.86 mmol) and toluene (1.5 ml) was heated in a microwave at 160° C. for 30 min. The reaction mixture was basified with DIPEA (0.2 ml), volatiles removed in vacuo and the residue purified by prep. LCMS to give 289 as a white solid (109 mg; 36%). δH (400 MHz, CDCl3) 3.13 (t, J=5.2, 2H), 4.29 (t, J=5.2, 2H), 6.89-6.93 (m, 2H), 7.24-7.28 (m, 1H), 7.62-7.67 (m, 2H), 7.80-7.83 (m, 1H), 7.98 (s, 1H), 8.26 (s, 1H). [M+H]+: 527

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08846762B2
출처 데이터셋uspto-grants-2014_09
ORD IDord-b290c766a22848a6b516e0af32d80fe9
출처 메모uspto-grants-2014_09