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

Methyl 4-chloro-3-(trifluoromethyl)benzoate → Methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate

HRID 62786
ノート
印刷プレビュー

反応式

HRID 62786 の反応式
[CH:1]1([Mg]Cl)[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl[C:9]1[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][C:10]=1[C:19]([F:22])([F:21])[F:20]>[Cl-].[Zn+2].[Cl-].CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[CH:1]1([C:9]2[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][C:10]=2[C:19]([F:20])([F:22])[F:21])[CH2:5][CH2:4][CH2:3][CH2:2]1
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 2

HCID 14148738Methyl 4-chloro-3-(trifluoromethyl)benzoateHCID 178478989HCID 178478989、化合物

生成物 1

HCID 11097668Methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate収率 95.8%

試薬・触媒・溶媒 2

HCID 3007855Zincchloride触媒HCID 178418851HCID 178418851、化合物触媒

実験手順

To zinc(II) chloride (0.5 M solution in tetrahydrofuran, 88.0 mL, 44.0 mmol) was added cyclopentylmagnesium chloride (2 M solution in ether, 20.5 mL, 41.1 mmol). The resulting suspension was stirred at room temperature for 1 h. To the above suspension was added methyl 4-chloro-3-(trifluoromethyl)benzoate (7.00 g, 29.3 mmol) and bis(tri-tert-butylphosphine)palladium (1.35 g, 2.64 mmol) at room temperature. The mixture was heated under reflux for 2 h. The mixture was allowed to cool to room temperature, quenched with saturated aqueous sodium bicarbonate solution and filtered. The filtrate was extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate, concentrated under reduced pressure and purified by silica gel column chromatography to give the title compound as an oil (7.64 g). LCMS m/z=273.2 [M+H]+; 1H NMR (400 MHz, CDCl3) δ ppm 1.57-1.66 (m, 2H), 1.68-1.82 (m, 2H), 1.82-1.94 (m, 2H), 2.04-221 (m, 2H), 3.33-3.49 (m, 1H), 3.93 (s, 3H), 7.54 (d, J=8.21 Hz, 1H), 8.13 (dd, J=8.34, 1.77 Hz, H), 8.27 (s, 1H).

後処理

  1. temperatureThe mixture was heated
  2. temperatureunder reflux for 2 h
  3. temperatureto cool to room temperature
  4. customquenched with saturated aqueous sodium bicarbonate solution
  5. filtrationfiltered
  6. extractionThe filtrate was extracted with ethyl acetate
  7. dry with materialThe organic layer was dried over anhydrous sodium sulfate
  8. concentrationconcentrated under reduced pressure
  9. custompurified by silica gel column chromatography

出典と根拠

ORDレコード
ord-29512bd29e554b878e504848b3bc000a
出典データセット
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09447041B2

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