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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 924256생성일: 2026년 10월 25일

(4-Methoxy-2-methylphenyl)thiourea → 1-[(4-Methoxy-2-methyl-phenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea

https://huagongshe.com/reaction/924256

반응식

참여 물질

역할이름HCID투입량
반응물(4-Methoxy-2-methylphenyl)thioureaHCID 20481024—
반응물3-(3-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazoleHCID 90404747—
생성물1-[(4-Methoxy-2-methyl-phenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]ureaHCID 90405022—

반응 단계

The title compound was prepared as described in Example 75 using 3-(3-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (CA44) and 1-(4-methoxy-2-methylphenyl)thiourea isolated as a white solid (0.105 g, 34%): 1H NMR (400 MHz, DMSO-d6) δ 11.78 (s, 1H), 10.07 (s, 1H), 9.42 (s, 1H), 8.13-8.05 (m, 2H), 8.04-7.96 (m, 2H), 7.66-7.57 (m, 2H), 7.53-7.45 (m, 1H), 7.42-7.32 (m, 2H), 7.01 (t, J=5.7 Hz, 1H), 6.85-6.81 (m, 1H), 6.76 (dd, J=8.7, 2.9 Hz, 1H), 3.74 (s, 3H), 3.45 (q, J=6.6 Hz, 2H), 2.89 (t, J=6.9 Hz, 2H), 2.15 (s, 3H); 19F NMR (376 MHz, DMSO-d6) δ −56.97; ESIMS m/z 517 ([M+H]+), 569 [(M−H)+].

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09278964B2
출처 데이터셋uspto-grants-2016_03
ORD IDord-d6e5f9a7638340b2b228ca568c5aec8c
출처 메모uspto-grants-2016_03