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

Trimethylboroxine → Methyl 3,4-dimethylthiophene-2-carboxylate

HRID 1508492
ノート
印刷プレビュー

反応式

HRID 1508492 の反応式
I[C:2]1[C:6]([CH3:7])=[CH:5][S:4][C:3]=1[C:8]([O:10][CH3:11])=[O:9].[CH3:12]B1OB(C)OB(C)O1>C1COCC1.[Pd](Cl)Cl.C(P(C(C)(C)C)[C-]1C=CC=C1)(C)(C)C.[C-]1(P(C(C)(C)C)C(C)(C)C)C=CC=C1.[Fe+2]>[CH3:12][C:2]1[C:6]([CH3:7])=[CH:5][S:4][C:3]=1[C:8]([O:10][CH3:11])=[O:9]
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 574072TrimethylboroxineHCID 2761204Methyl 3-iodo-4-methylthiophene-2-carboxylate

生成物 1

HCID 18735163Methyl 3,4-dimethylthiophene-2-carboxylate

試薬・触媒・溶媒 2

HCID 178454861HCID 178454861、化合物触媒HCID 8028Tetrahydrofuran溶媒

実験手順

A solution of methyl 3-iodo-4-methylthiophene-2-carboxylate (400 mg, 1.418 mmol), trimethylboroxine (793 μL, 5.67 mmol) and 1,1′-bis(di-tert-butylphosphino)ferrocene palladium dichloride (92 mg, 0.142 mmol) in THF (2363 μL) was degassed by bubbling N2 through the solution. 1N aq. K2CO3 (2363 μL) was added and N2 was bubbled through the mixture for 30 s. The mixture was subjected to microwave irradiation in a sealed tube at 120° C. for 30 min. The reaction mixture was filtered through a plug of silica, eluted with EtOAc and the filtrate was washed with 1N aq. NaOH (2×), dried (Na2SO4) and concentrated in vacuo to afford the crude product. This was purified by flash chromatography (Biotage Horizon, 25M, Si, ˜20 mL/min, 100% hexanes for 144 mL, gradient to 10% EtOAc in hexanes over 1140 mL) to afford methyl 3,4-dimethylthiophene-2-carboxylate.

後処理

  1. customby bubbling N2 through the solution
  2. addition1N aq. K2CO3 (2363 μL) was added
  3. customN2 was bubbled through the mixture for 30 s
  4. customirradiation in a sealed tube at 120° C. for 30 min
  5. filtrationThe reaction mixture was filtered through a plug of silica
  6. washeluted with EtOAc
  7. washthe filtrate was washed with 1N aq. NaOH (2×)
  8. dry with materialdried (Na2SO4)
  9. concentrationconcentrated in vacuo
  10. customto afford the crude product
  11. customThis was purified by flash chromatography (Biotage Horizon, 25M, Si, ˜20 mL/min, 100% hexanes for 144 mL, gradient to 10% EtOAc in hexanes over 1140 mL)

出典と根拠

ORDレコード
ord-9a508379d25c400b817c7fd3f07e4f5e
出典データセット
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09221834B2

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