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

Methylhydrazine → ethyl 5-(2,6-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxylate

HRID 406597
ノート
印刷プレビュー

反応式

HRID 406597 の反応式
[CH3:1][C:2]([C:4]1[C:9]([F:10])=[CH:8][CH:7]=[CH:6][C:5]=1[F:11])=O.[C:12](OCC)(=O)[C:13]([O:15][CH2:16][CH3:17])=[O:14].CC(C)([O-])C.[Na+].[CH3:28][NH:29][NH2:30]>C(O)C>[F:11][C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([F:10])[C:4]=1[C:2]1[N:29]([CH3:28])[N:30]=[C:12]([C:13]([O:15][CH2:16][CH3:17])=[O:14])[CH:1]=1
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 6061MethylhydrazineHCID 7268Diethyl OxalateHCID 836431-(2,6-Difluorophenyl)ethan-1-oneHCID 23676156Sodium t-butoxide

生成物 1

HCID 66613940ethyl 5-(2,6-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxylate収率 12.5%

試薬・触媒・溶媒 1

HCID 702Ethanol
溶媒
2 回

実験手順

To a mixture of 2,6-difluoroacetophenone (4.7 g, 0.03 mol) and 1,2-diethyl ethanedioate (4.8 g, 0.033 mol) in ethanol (33 mL) was added sodium tert-butoxide (3.17 g, 0.033 mol). After 1 h, more ethanol (30 mL) was added to the reaction mixture and stirring was continued for 1 h. The reaction mixture was partitioned between hydrochloric acid (1 N) and diethyl ether. The organic phase was separated, dried over magnesium sulfate, filtered, and concentrated under reduced pressure to half its original volume. To the resulting mixture was added methylhydrazine (1.52 g, 0.033 mol) and stirring was continued overnight. The reaction mixture was concentrated under reduced pressure and the resulting material was purified by silica gel chromatography (5 to 20% gradient of ethyl acetate in methylene chloride as eluant) to provide the title compound as a solid (1.0 g).

後処理

  1. waitwas continued for 1 h
  2. customThe reaction mixture was partitioned between hydrochloric acid (1 N) and diethyl ether
  3. customThe organic phase was separated
  4. dry with materialdried over magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure to half its original volume
  7. stirringstirring
  8. waitwas continued overnight
  9. concentrationThe reaction mixture was concentrated under reduced pressure
  10. customthe resulting material was purified by silica gel chromatography (5 to 20% gradient of ethyl acetate in methylene chloride as eluant)

出典と根拠

ORDレコード
ord-346fa9d45dff41edac41bda2c0541f34
出典データセット
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08754115B2

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