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Diisopropylethylamine → 5-(4-Trifluoromethyl-imidazol-1-yl)-2-nitro-4-trifluoromethyl-benzoic acid methyl ester

HRID 2069298
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반응식

HRID 2069298 반응식
[CH3:1][O:2][C:3](=[O:18])[C:4]1[CH:9]=[C:8](F)[C:7]([C:11]([F:14])([F:13])[F:12])=[CH:6][C:5]=1[N+:15]([O-:17])=[O:16].[F:19][C:20]([F:27])([F:26])[C:21]1[N:22]=[CH:23][NH:24][CH:25]=1.C(N(C(C)C)C(C)C)C>O1CCOCC1>[CH3:1][O:2][C:3](=[O:18])[C:4]1[CH:9]=[C:8]([N:24]2[CH:25]=[C:21]([C:20]([F:27])([F:26])[F:19])[N:22]=[CH:23]2)[C:7]([C:11]([F:14])([F:13])[F:12])=[CH:6][C:5]=1[N+:15]([O-:17])=[O:16]
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참가 물질

5

반응물 3

HCID 81531DiisopropylethylamineHCID 589644905-Fluoro-2-nitro-4-trifluoromethyl-benzoic acid methyl esterHCID 178418921HCID 178418921, 화합물

생성물 1

HCID 866148585-(4-Trifluoromethyl-imidazol-1-yl)-2-nitro-4-trifluoromethyl-benzoic acid methyl ester수율 65%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

In a similar way a solution of 5-fluoro-2-nitro-4-trifluoromethyl-benzoic acid methyl ester (1.5 g, 5.62 mmol), 4-trifluoromethyl-imidazole (0.945, 6.74 mmol) and ethyl-diisopropyl-amine (3.94 ml, 22.5 mmol) in 10 ml of dioxane is heated to reflux for 48 hours. After a similar workup procedure 1.4 g (3.65 mmol, 65%) of amorphous 5-(4-trifluoromethyl-imidazol-1-yl)-2-nitro-4-trifluoromethyl-benzoic acid methyl ester are obtained, ES-MS: m/z 384 [M+H]+.

후처리

  1. temperatureto reflux for 48 hours

출처 및 근거

ORD 기록
ord-ef25f2972a0047519b1e2b440c0d9c00
출처 데이터셋
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08299085B2

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