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Trimethylsilylacetylene → 4-(4-Ethynyl-2-fluoro-phenylamino)-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester

HRID 917784
ノート
印刷プレビュー

反応式

HRID 917784 の反応式
[CH2:1]([O:3][C:4]([C:6]1[C:11]([NH:12][C:13]2[CH:18]=[CH:17][C:16](I)=[CH:15][C:14]=2[F:20])=[CH:10][C:9](=[O:21])[N:8]([CH3:22])[CH:7]=1)=[O:5])[CH3:2].[C:23]([Si](C)(C)C)#[CH:24].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1.CN(C=O)C.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[CH2:1]([O:3][C:4]([C:6]1[C:11]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([C:23]#[CH:24])=[CH:15][C:14]=2[F:20])=[CH:10][C:9](=[O:21])[N:8]([CH3:22])[CH:7]=1)=[O:5])[CH3:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 3

HCID 66111TrimethylsilylacetyleneHCID 2724141Tetrabutylammonium FluorideHCID 11362025Ethyl 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate

生成物 1

HCID 117714024-(4-Ethynyl-2-fluoro-phenylamino)-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester収率 88.8%

試薬・触媒・溶媒 3

HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
触媒
HCID 178418476HCID 178418476、化合物触媒
HCID 21974620tetrahydrofuran N,N-dimethylformamide溶媒

実験手順

4-(2-Fluoro-4-iodo-phenylamino)-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester (1.0 g, 2.40 mmol) was reacted with ethynyl-trimethyl-silane (0.70 mL, 4.80 mmol) in the presence of CuI (0.23 g, 1.20 mmol), (Ph3P)2PdCl2 (0.085 g, 0.12 mmol) and TEA (10 mL) in THF/DMF (4:1, 25 mL) which was stirred at room temperature for 24 hours. The reaction mixture was filtered pass through a pad of alumina (neutral). The filtrate was partitioned between water (20 mL) and EtOAc (100 mL). The organic layer was dried and concentrated under reduced pressure. The resulting residue was dissolved in THF (10 mL) and treated with the tetrabutylammonium fluoride (1M in THF, 2.40 mL, 2.4 mmol) which was stirred at room temperature for 15 hours. The reaction was partitioned between water (20 mL), and EtOAc (100 mL). The organic layer was dried over MgSO4, filtered, and concentrated in vacuo. The resulting residue was purified by column chromatography on silica gel (5% MeOH/CH2Cl2 as eluant) to give 4-(4-Ethynyl-2-fluoro-phenylamino)-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester as a light brown solid (0.67 g, 88%). 1H NMR [(CDCl3, 400 MHz] δ9.56 (s, 1H), 8.22 (s, 1H), 7.38 (dd, J=10.1, 1.9 Hz, 1H), 7.25 (s, 2H), 6.01 (s, 1H), 4.38 (q, J=7.1 Hz, 2H), 3.53 (s, 3H), 3.09 (s, 1H), 1.38 (t, J=7.1 Hz, 3H). Anal. Calcd for C17H15FIN2O3: C, 64.96; H, 4.81; N, 8.91. Found: C, 64.89; H, 4.40; N, 8.64.

後処理

  1. filtrationThe reaction mixture was filtered pass through a pad of alumina (neutral)
  2. customThe filtrate was partitioned between water (20 mL) and EtOAc (100 mL)
  3. customThe organic layer was dried
  4. concentrationconcentrated under reduced pressure
  5. dissolutionThe resulting residue was dissolved in THF (10 mL)
  6. stirringwas stirred at room temperature for 15 hours
  7. customThe reaction was partitioned between water (20 mL), and EtOAc (100 mL)
  8. dry with materialThe organic layer was dried over MgSO4
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo
  11. customThe resulting residue was purified by column chromatography on silica gel (5% MeOH/CH2Cl2 as eluant)

出典と根拠

ORDレコード
ord-14624939fb764c3d8b212edea37dfe94
出典データセット
uspto-grants-2007_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07273877B2

反応ノート

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