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Pyridine → HCID 57800487、化合物

HRID 1188320
ノート
印刷プレビュー

反応式

HRID 1188320 の反応式
[Cl:1][C:2]1[C:10]([C:11]#[N:12])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([C:18]([NH2:20])=O)[N:6]2[CH2:13][C:14]([F:17])([F:16])[F:15].N1C=CC=CC=1.C(OC(C(F)(F)F)=O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:1][C:2]1[C:10]([C:11]#[N:12])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([C:18]#[N:20])[N:6]2[CH2:13][C:14]([F:16])([F:17])[F:15]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 1049PyridineHCID 9845Trifluoroacetic anhydrideHCID 24985459HCID 24985459、化合物

生成物 1

HCID 57800487HCID 57800487、化合物収率 72%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

To a suspension of 4-chloro-5-cyano-1-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (0.05 g, 0.17 mmol) in CH2Cl2 (6 mL) was added pyridine (0.104 g, 1.32 mmol), followed by dropwise addition of TFAA (0.14 g, 0.66 mmol). The mixture was stirred at rt for 4 h and then concentrated in vacuo. The residue was partitioned between EtOAc and 0.5N HCl. The organic phase was washed with 0.5N HCl and sat'd brine, dried (Na2SO4) and concentrated in vacuo. The residue was purified by flash chromatography (0-50% EtOAc-hexanes gradient) and the product was crystallized from CH2Cl2-hexanes to afford the title compound as a white solid (0.033 g, 72% yield): MS (ES) m/z 284 (M+1).

後処理

  1. concentrationconcentrated in vacuo
  2. customThe residue was partitioned between EtOAc and 0.5N HCl
  3. washThe organic phase was washed with 0.5N HCl
  4. dry with materialdried (Na2SO4)
  5. concentrationconcentrated in vacuo
  6. customThe residue was purified by flash chromatography (0-50% EtOAc-hexanes gradient)
  7. customthe product was crystallized from CH2Cl2-hexanes

出典と根拠

ORDレコード
ord-917ebcb1d81149e68c6fc1686178cbd7
出典データセット
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08673948B2

反応ノート

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