Trifluoroacetic acid → N-(3-(3-(4-(bromomethyl)phenyl)-4,5-dihydro-5-oxo-1,2,4-triazol-1-yl)-4-chlorobenzyl)pivalamide

HRID 508901

반응식

HRID 508901 반응식
[Br:1][CH2:2][C:3]1[CH:13]=[CH:12][C:6]([C:7]([N:9]=[C:10]=[O:11])=O)=[CH:5][CH:4]=1.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([CH2:21][NH:22][C:23](=[O:28])[C:24]([CH3:27])([CH3:26])[CH3:25])=[CH:17][C:16]=1[NH:29][NH:30]C(OC(C)(C)C)=O.FC(F)(F)C(O)=O>C(Cl)Cl>[Br:1][CH2:2][C:3]1[CH:13]=[CH:12][C:6]([C:7]2[NH:9][C:10](=[O:11])[N:29]([C:16]3[CH:17]=[C:18]([CH:19]=[CH:20][C:15]=3[Cl:14])[CH2:21][NH:22][C:23](=[O:28])[C:24]([CH3:27])([CH3:26])[CH3:25])[N:30]=2)=[CH:5][CH:4]=1

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 900189974-(Bromomethyl)benzoyl isocyanateHCID 90019804Tert-butyl 2-(2-chloro-5-(((2,2-dimethylpropanoyl)amino)methyl)phenyl)hydrazinecarboxylate

생성물 1

HCID 136644856N-(3-(3-(4-(bromomethyl)phenyl)-4,5-dihydro-5-oxo-1,2,4-triazol-1-yl)-4-chlorobenzyl)pivalamide수율 49.7%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

The title compound was prepared according to the procedure described in Example-83 by using 4-(bromomethyl)benzoyl isocyanate (0.150 g), tert-Butyl 2-(2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)hydrazinecarboxylate (Intermediate-94, 0.150 g), DCM (20 mL), and trifluoro acetic acid (5.0 mL) to afford 0.100 g of the desired product. 1H NMR (400 MHz, DMSO d6): δ 1.12 (s, 9H), 4.28 (br d, 2H), 4.75 (s, 2H), 7.34 (br d, 2H), 7.43 (br s, 1H), 7.60 (br d, 2H), 7.81 (br d, 2H), 8.17 (br s, 1H), 12.57 (s, 1H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-517f387559d440a6afc2fcf3a866b470
출처 데이터셋
uspto-grants-2015_08
특허 번호
US09096545B2

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