Trifluoroacetic acid → 2-(Isoquinolin-7-ylamino)-N-(4-pentafluoroethyl-phenyl)-nicotinamide

HRID 887675ノート

反応式

HRID 887675 の反応式
F[C:2]1[N:23]=[CH:22][CH:21]=[CH:20][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]([F:19])([F:18])[C:14]([F:17])([F:16])[F:15])=[CH:9][CH:8]=1)=[O:5].[NH2:24][C:25]1[CH:34]=[C:33]2[C:28]([CH:29]=[CH:30][N:31]=[CH:32]2)=[CH:27][CH:26]=1.C(O)(C(F)(F)F)=O>CC(O)(C)C>[CH:32]1[C:33]2[C:28](=[CH:27][CH:26]=[C:25]([NH:24][C:2]3[N:23]=[CH:22][CH:21]=[CH:20][C:3]=3[C:4]([NH:6][C:7]3[CH:12]=[CH:11][C:10]([C:13]([F:19])([F:18])[C:14]([F:17])([F:16])[F:15])=[CH:9][CH:8]=3)=[O:5])[CH:34]=2)[CH:29]=[CH:30][N:31]=1

参加物

5

反応物 3

HCID 6422Trifluoroacetic acidHCID 14660277Isoquinolin-7-amineHCID 860931252-fluoro-N-(4-pentafluoroethyl-phenyl)-nicotinamide

生成物 1

HCID 115108692-(Isoquinolin-7-ylamino)-N-(4-pentafluoroethyl-phenyl)-nicotinamide

試薬・触媒・溶媒 1

HCID 6386tert-Butanol溶媒

反応条件

温度
90 °C

実験手順

To a mixture of 2-fluoro-N-(4-pentafluoroethyl-phenyl)-nicotinamide (112 mg) and 7-aminoisoquinoline (40 mg) in t-BuOH (0.5 mL) was added TFA (94 μL). The resulting mixture was stirred for 24 h at 90° C., cooled to RT and purified by flash chromatography (4:1:0.1; MeOH/CH2Cl2/MeOH) to give the title compound as a yellow solid. MS (ES+): 459 (M+H)+. Calc'd for C23H15F5N4O—458.12.

後処理

  1. temperaturecooled to RT
  2. custompurified by flash chromatography (4:1:0.1; MeOH/CH2Cl2/MeOH)

出典と根拠

ORDレコード
ord-c64a1a69a83e44b7a6154a887cce14fd
出典データセット
uspto-grants-2012_08
特許番号
US08247430B2

反応ノート

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