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Sodium Hydroxide → 3-[4-(2-Cyclopropyl-3-methyl-3H-imidazol-4-yl)-1,2,3-triazol-1-yl]-N-[5-(2-hydroxy-1,1-dimethyl-ethyl)-3-methanesulfonylamino-2-methoxy-phenyl]-4-methyl-benzamide

HRID 1350790
ノート
印刷プレビュー

反応式

HRID 1350790 の反応式
[N:1]([C:4]1[CH:5]=[C:6]([CH:31]=[CH:32][C:33]=1[CH3:34])[C:7]([NH:9][C:10]1[CH:11]=[C:12]([C:23]([CH3:30])([CH3:29])[CH2:24][O:25]C(=O)C)[CH:13]=[C:14]([NH:18][S:19]([CH3:22])(=[O:21])=[O:20])[C:15]=1[O:16][CH3:17])=[O:8])=[N+:2]=[N-:3].[OH-].[Na+].[CH:37]1([C:40]2[N:41]([CH3:47])[C:42]([C:45]#[CH:46])=[CH:43][N:44]=2)[CH2:39][CH2:38]1.O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CCO.O.[NH4+].[Cl-].[O-]S([O-])(=O)=O.[Cu+2]>[CH:37]1([C:40]2[N:41]([CH3:47])[C:42]([C:45]3[N:3]=[N:2][N:1]([C:4]4[CH:5]=[C:6]([CH:31]=[CH:32][C:33]=4[CH3:34])[C:7]([NH:9][C:10]4[CH:11]=[C:12]([C:23]([CH3:30])([CH3:29])[CH2:24][OH:25])[CH:13]=[C:14]([NH:18][S:19]([CH3:22])(=[O:20])=[O:21])[C:15]=4[O:16][CH3:17])=[O:8])[CH:46]=3)=[CH:43][N:44]=2)[CH2:39][CH2:38]1
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 14798Sodium HydroxideHCID 210972752-Cyclopropyl-5-ethynyl-1-methyl-1H-imidazoleHCID 23667548Sodium AscorbateHCID 58861402Acetic acid 2-[3-(3-azido-4-methyl-benzoylamino)-5-methanesulfonylamino-4-methoxy-phenyl]-2-methyl-propyl ester

生成物 1

HCID 21097080
3-[4-(2-Cyclopropyl-3-methyl-3H-imidazol-4-yl)-1,2,3-triazol-1-yl]-N-[5-(2-hydroxy-1,1-dimethyl-ethyl)-3-methanesulfonylamino-2-methoxy-phenyl]-4-methyl-benzamide

試薬・触媒・溶媒 4

HCID 24462Copper Sulfate触媒HCID 702Ethanol溶媒HCID 962Water溶媒HCID 25517Ammonium Chloride溶媒

実験手順

To a stirring suspension of 49 mg (0.10 mmol) of acetic acid 2-[3-(3-azido-4-methyl-benzoylamino)-5-methanesulfonylamino-4-methoxy-phenyl]-2-methyl-propyl ester in 1 mL of EtOH was added 4N NaOH dropwise until the solids dissolved. 2-Cyclopropyl-5-ethynyl-1-methyl-1H-imidazole (125 mg, 0.855 mmol) was added followed by 20 mg (0.1 mmol) of sodium ascorbate in water. The mixture was stirred under N2 and CuSO4 (0.1 M; 0.1 mL, 0.010 mmol) was added. The suspension was stirred overnight, then was was diluted with half-saturated NH4Cl, and extracted with EtOAc. The extract was washed with brine, and the washes were extract once more wtih EtOAc. The extracts were combined, dried with Na2SO4, filtered, and concentrated. Chromatography (0–4% MeOH (0.5% NH4OH) in CH2Cl2) provided the desired product with a slight blue-green color. The product was then redissolved in EtOAc and washed again with NH4Cl with a few drops of NH4OH added. The aqueous layer became blue, and the organic layer was washed once more with NH4Cl/NH4OH, and once with brine. The organic layer was then dried with Na2SO4, filtered, and concentrated to provide Example 133 (83 mg). ESI MS m/z 594 [C29H35N7O5S+H]+.

後処理

  1. dissolutiondissolved
  2. stirringThe suspension was stirred overnight
  3. extractionextracted with EtOAc
  4. washThe extract was washed with brine
  5. extractionthe washes were extract once more wtih EtOAc
  6. dry with materialdried with Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated

出典と根拠

ORDレコード
ord-9ebeeff705f94e7eaf8b17f9d75c5d35
出典データセット
uspto-grants-2007_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07214802B2

反応ノート

読み込み中…

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