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

Water → ethyl 4,6-dimethyl-1H-indole-2-carboxylate

HRID 507326
ノート
印刷プレビュー

反応式

HRID 507326 の反応式
O.C1(C)C=CC(S(O)(=O)=O)=CC=1.Cl.[CH3:14][C:15]1[CH:16]=[C:17]([NH:22]N)[CH:18]=[C:19]([CH3:21])[CH:20]=1.[C:24]([O:29][CH2:30][CH3:31])(=[O:28])[C:25]([CH3:27])=O.O>C1C=CC=CC=1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH2:30]([O:29][C:24]([C:25]1[NH:22][C:17]2[C:16]([CH:27]=1)=[C:15]([CH3:14])[CH:20]=[C:19]([CH3:21])[CH:18]=2)=[O:28])[CH3:31]
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 4

HCID 962WaterHCID 12041Ethyl pyruvateHCID 521998p-Toluenesulfonic acid monohydrateHCID 12651341(3,5-Dimethylphenyl)hydrazine hydrochloride

生成物 1

HCID 4714990ethyl 4,6-dimethyl-1H-indole-2-carboxylate収率 82%

試薬・触媒・溶媒 2

HCID 521998
p-Toluenesulfonic acid monohydrate
触媒
HCID 241Benzene溶媒2 回

実験手順

In a flask fitted with a Dean-Stark trap, p-toluenesulfonic acid monohydrate (132 g, 0.69 mol) in 500 ml of benzene was heated at reflux for 2 hours. A solution of 3,5-dimethylphenylhydrazine hydrochloride (34.5 g, 0.2 mol), ethyl pyruvate (23.2 g, 0.2 mol), and p-toluenesulfonic acid monohydrate (0.85 g, 0.005 mol) in 500 ml of benzene, which had been refluxed for 2 hours with water removed through a Dean-Stark apparatus was then added. The resulting mixture was heated at reflux and stirred overnight. After cooling, the solution was treated with saturated sodium bicarbonate solution and diluted with methylene chloride. The organic portion was washed twice with saturated sodium bicarbonate solution, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was purified by ISCO (hexane/EtOAc, 0-30%, 40 min) to give yellow solids, which was recrystallized from hexane/ethyl acetate (10%) to give colorless needles (35.6 g, 82%). 1H NMR (DMSO-d6, 400 MHz): δ 11.68 (brs, 1H, exchangeable with D2O, NH), 7.12 (s, 1H), 7.05 (s, 1H), 6.71 (s, 1H), 4.33 (q, J=6.8 Hz, 2H), 2.44 (s, 3H), 2.35 (s, 3H), 1.34 (t, J=6.8 Hz, 3H).

後処理

  1. temperaturewas heated
  2. temperatureat reflux for 2 hours
  3. customremoved through a Dean-Stark apparatus
  4. additionwas then added
  5. temperatureThe resulting mixture was heated
  6. temperatureat reflux
  7. temperatureAfter cooling
  8. additionthe solution was treated with saturated sodium bicarbonate solution
  9. additiondiluted with methylene chloride
  10. washThe organic portion was washed twice with saturated sodium bicarbonate solution
  11. dry with materialdried over anhydrous sodium sulfate
  12. concentrationconcentrated under reduced pressure
  13. customThe residue was purified by ISCO (hexane/EtOAc, 0-30%, 40 min)
  14. customto give yellow solids, which
  15. customwas recrystallized from hexane/ethyl acetate (10%)

出典と根拠

ORDレコード
ord-6a6f3572c264407880216a555f07fdb8
出典データセット
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07786146B2

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