Trifluoroacetic acid → N-(4-chloro-2-fluoro-5-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)-2,2,2-trifluoroacetamide

HRID 59389

반응식

HRID 59389 반응식
[I:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([N:8]=[C:9]=[O:10])=O)=[CH:4][CH:3]=1.[Cl:13][C:14]1[CH:19]=[C:18]([F:20])[C:17]([CH2:21][NH:22][C:23](=[O:28])[C:24]([F:27])([F:26])[F:25])=[CH:16][C:15]=1[NH:29][NH:30]C(OC(C)(C)C)=O.FC(F)(F)C(O)=O>C(Cl)Cl>[Cl:13][C:14]1[C:15]([N:29]2[C:9](=[O:10])[NH:8][C:6]([C:5]3[CH:11]=[CH:12][C:2]([I:1])=[CH:3][CH:4]=3)=[N:30]2)=[CH:16][C:17]([CH2:21][NH:22][C:23](=[O:28])[C:24]([F:26])([F:27])[F:25])=[C:18]([F:20])[CH:19]=1

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 149137404-Iodobenzoyl isocyanateHCID 90065783Tert-butyl 2-(2-chloro-4-fluoro-5-{[(trifluoroacetyl)amino]methyl}phenyl)hydrazine carboxylate

생성물 1

HCID 136492435N-(4-chloro-2-fluoro-5-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)-2,2,2-trifluoroacetamide수율 61.7%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

The title compound was prepared according to the procedure described in Example-83 by using 4-iodobenzoyl isocyanate (Intermediate-67, 0.700 g, 1.8 mmol), tert-butyl 2-(2-chloro-4-fluoro-5-{[(trifluoroacetyl)amino]methyl}phenyl)hydrazine carboxylate (Intermediate-89, 0.992 g, 3.63 mmol), DCM (50 mL), trifluoro acetic acid (5.0 mL) to afford 0.600 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 4.47 (s, 2H), 7.61 (d, J=2.1 Hz, 3H), 7.86-7.90 (br d, 3H), 10.05 (br s, 1H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-f5528927b0de4d36a738db2bec28fc28
출처 데이터셋
uspto-grants-2016_09
특허 번호
US09439890B2

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