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Phenylacetaldehyde → N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide

HRID 2381862
ノート
印刷プレビュー

反応式

HRID 2381862 の反応式
[C:1]1([CH2:7][CH:8]=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[NH2:11][OH:12].[OH-].[Na+].CC1C=CC(S(NCl)(=O)=O)=CC=1.[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([C:42]#[CH:43])=[N:39][C:38]=1[CH3:44])=[O:36])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>C(O)(C)(C)C.O.[Cu]I>[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([C:42]2[O:12][N:11]=[C:8]([CH2:7][C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)[CH:43]=2)=[N:39][C:38]=1[CH3:44])=[O:36])[C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=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 5

HCID 998PhenylacetaldehydeHCID 14798Sodium HydroxideHCID 31388TosylchloramideHCID 443297Hydroxyamine hydrochlorideHCID 73213266N-benzyl-2-ethynyl-4-methylthiazole-5-carboxamide

生成物 1

HCID 24960062N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide収率 53%

試薬・触媒・溶媒 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)触媒HCID 962Water溶媒HCID 6386tert-Butanol溶媒

実験手順

To a solution of 2-phenylacetaldehyde (0.05 mL, 0.44 mmol) in t-butanol (2.5 mL) and water (2.5 mL) was added hydroxylamine hydrochloride (0.03 g, 0.45 mmol) and sodium hydroxide (0.02 g, 0.50 mmol). The reaction mixture was stirred at ambient temperature for 3 hours, followed by the addition of chloramine T (0.14 g, 0.50 mmol), N-benzyl-2-ethynyl-4-methylthiazole-5-carboxamide (0.10 g, 0.39 mmol) and copper(I) iodide (0.01 g, 0.06 mmol). The reaction mixture was stirred for 18 hours at ambient temperature and extracted with ethyl acetate, washed with 10% ammonium chloride solution and brine. The organic solution was dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo. The residue was purified by column chromatography to afford the title compound as a white solid (0.08 g, 53%): mp 103-104° C.; 1H NMR (300 MHz, CDCl3) δ 7.36-7.17 (m, 10H), 6.60 (s, 1H), 6.55 (t, J=5.6 Hz, 1H), 4.56 (d, J=5.6 Hz, 2H), 4.01 (s, 2H), 2.67 (s, 3H). 13C NMR (75 MHz, CDCl3) δ 164.2, 163.2, 161.1, 156.8, 152.8, 137.5, 136.5, 128.9, 128.8, 127.8, 127.2, 103.1, 44.3, 32.3, 17.3; MS (ES+) m/z 390.3 (M+1).

後処理

  1. stirringThe reaction mixture was stirred for 18 hours at ambient temperature
  2. extractionextracted with ethyl acetate
  3. washwashed with 10% ammonium chloride solution and brine
  4. dry with materialThe organic solution was dried over anhydrous sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe residue was purified by column chromatography

出典と根拠

ORDレコード
ord-5794c6b27a964f2db1028a679efcd335
出典データセット
uspto-grants-2012_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08258160B2

反応ノート

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