ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Trifluoroacetic acid → 2-({5-Fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}[2-fluoro-4-(trifluoro-methyl)phenyl]methyl)cyclopropanecarbonitrile

HRID 561690
ノート
印刷プレビュー

反応式

HRID 561690 の反応式
[Cl-].[In+3].[Cl-].[Cl-].FC(F)(F)C(O)=O.[F:12][C:13]1[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:16]=[CH:15][C:14]=1[CH:23](O)[CH:24]1[CH2:26][CH:25]1[C:27]#[N:28].[F:30][C:31]1[CH:32]=[C:33]2[C:37](=[C:38]([CH2:40][S:41]([CH3:44])(=[O:43])=[O:42])[CH:39]=1)[NH:36][CH:35]=[CH:34]2>ClCCCl>[F:30][C:31]1[CH:32]=[C:33]2[C:37](=[C:38]([CH2:40][S:41]([CH3:44])(=[O:42])=[O:43])[CH:39]=1)[NH:36][CH:35]=[C:34]2[CH:23]([C:14]1[CH:15]=[CH:16][C:17]([C:19]([F:22])([F:21])[F:20])=[CH:18][C:13]=1[F:12])[CH:24]1[CH2:26][CH:25]1[C:27]#[N:28]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 6422Trifluoroacetic acidHCID 159675indium(III)chlorideHCID 583921352-{[2-Fluoro-4-(trifluoromethyl)phenyl] (hydroxy)methyl}cyclopropanecarbonitrileHCID 583923185-Fluoro-7-[(methylsulfonyl)methyl]-1H-indole

生成物 1

HCID 583925412-({5-Fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}[2-fluoro-4-(trifluoro-methyl)phenyl]methyl)cyclopropanecarbonitrile

試薬・触媒・溶媒 1

HCID 111,2-Dichloroethane溶媒

実験手順

1.63 g (7.35 mmol) of indium(III) chloride and 0.85 ml (11.0 mmol) of trifluoroacetic acid were added to 1.59 g (6.13 mmol) of the compound from Example 164A and 1.90 g (7.35 mmol) of the compound from Example 87A in 100 ml of 1,2-dichloroethane, and the mixture was heated under reflux overnight. It was concentrated and the residue was purified by preparative HPLC (RP18 column; mobile phase: acetonitrile/water gradient with addition of 0.1% formic acid) to result in 763 mg (27% of theory) of the title compound as mixture of diastereomers.

後処理

  1. temperaturethe mixture was heated
  2. temperatureunder reflux overnight
  3. concentrationIt was concentrated
  4. customthe residue was purified by preparative HPLC (RP18 column; mobile phase: acetonitrile/water gradient with addition of 0.1% formic acid)

出典と根拠

ORDレコード
ord-2365e2f3ba3d4ba080e7febccdb3932f
出典データセット
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08063234B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート