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

Sulfuric Acid → methyl 6-bromo-5-iodo-1H-indole-3-carboxylate

HRID 1054728
ノート
印刷プレビュー

反応式

HRID 1054728 の反応式
[I:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[C:11]([O:13][CH3:14])=[O:12].[Br:15]Br.S(=O)(=O)(O)O>C(O)(=O)C.CO.CO.ClCCl>[Br:15][C:10]1[CH:9]=[C:8]2[C:4]([C:5]([C:11]([O:13][CH3:14])=[O:12])=[CH:6][NH:7]2)=[CH:3][C:2]=1[I:1]
参加物反応条件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 1118Sulfuric AcidHCID 24408BromineHCID 53408147methyl 5-iodo-1H-indole-3-carboxylate2 回

生成物 1

HCID 86698727methyl 6-bromo-5-iodo-1H-indole-3-carboxylate

試薬・触媒・溶媒 3

HCID 176Acetic Acid溶媒2 回HCID 887Methanol溶媒
HCID 21226129
Dichloromethane methanol
溶媒

反応条件

温度
70 °C

実験手順

To a suspension of methyl 5-iodo-1H-indole-3-carboxylate (1.20 g, 3.09 mmol) in acetic acid (30 ml) was added a solution of bromine (0.15 ml, 2.9 mmol) in acetic acid (5 ml). Reaction was heated to reflux and stirred for 3 hours. The reaction was then cooled and poured onto ice water, then partitioned between water and dichloromethane. The aqueous layer was extracted with 10% MeOH/DCM (2×100 mL). The organics were combined, washed with brine, and dried over sodium sulfate, filtered and concentrated to give a dark red semi solid. The residue was taken up in methanol (30 ml). Concentrated sulfuric acid (0.5 ml) was added and mixture was heated to 70° C. for 2 days. The reaction was cooled then concentrated in vacuo and the residue partitioned between ethyl acetate and aqueous sodium bicarbonate solution. The layers were separated and organic washed with brine, dried over sodium sulfate, filtered and concentrated to give a reddish solid. The residue was dissolved in methanol/dichloromethane and adsorbed onto silica gel and purified by silica gel chromatography (50 g, 20-100% ethyl acetate/heptane). The major peak was isolated to afford a mixture of the title compound and methyl 5-iodo-1H-indole-3-carboxylate confirmed as a brown solid (260 mg) that was taken forward without further purification.

後処理

  1. customReaction
  2. temperaturewas heated
  3. temperatureto reflux
  4. temperatureThe reaction was then cooled
  5. additionpoured onto ice water
  6. custompartitioned between water and dichloromethane
  7. extractionThe aqueous layer was extracted with 10% MeOH/DCM (2×100 mL)
  8. washwashed with brine
  9. dry with materialdried over sodium sulfate
  10. filtrationfiltered
  11. concentrationconcentrated
  12. customto give a dark red semi solid
  13. temperatureThe reaction was cooled
  14. concentrationthen concentrated in vacuo
  15. customthe residue partitioned between ethyl acetate and aqueous sodium bicarbonate solution
  16. customThe layers were separated
  17. washorganic washed with brine
  18. dry with materialdried over sodium sulfate
  19. filtrationfiltered
  20. concentrationconcentrated
  21. customto give a reddish solid
  22. custompurified by silica gel chromatography (50 g, 20-100% ethyl acetate/heptane)
  23. customThe major peak was isolated
  24. customto afford

出典と根拠

ORDレコード
ord-bb039cf6883d474fa51025c4397e5604
出典データセット
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09394285B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート