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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 84677생성일: 2026년 10월 24일

Water → 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

https://huagongshe.com/ko/reaction/84677

반응식

참여 물질

역할이름HCID투입량
반응물WaterHCID 962—
반응물Lithium HydroxideHCID 3939—
반응물Methyl 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylateHCID 57900408—
용매TetrahydrofuranHCID 8028—
생성물2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acidHCID 5790043097.2%

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온도50 °C

반응 단계

Methyl 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylate (5.83 g, 12.8 mmol) was dissolved in 25 mL of THF and 25 mL of water and treated with LiOH (1.35 g, mono-hydrate). The whole was heated at 50° C. for 3 h, cooled to room temperature and acidified. The resulting precipitate was filtered and washed with water. The filter cake was dried to a constant weight under vacuum to give 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid (5.47 g, yield 97%). ESI-MS: 440.2. 1H NMR (DMSO-d6, 400 MHz): δ12.34 (s, 1H, NH), 7.74-7.42 (m, 7H, ArH), 6.50 (s, 1H, ═CH), 4.18 (t, J=5.2 Hz, 2H, CH2), 2.98 (t, J=5.2 Hz, 2H, CH2).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08846762B2
출처 데이터셋uspto-grants-2014_09
ORD IDord-cf74be8001744b86bc4f6642ed29d809
출처 메모uspto-grants-2014_09