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

Sodium Chloride → 1-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone

HRID 1881555
ノート
印刷プレビュー

反応式

HRID 1881555 の反応式
[CH3:1][NH:2][N:3]=[CH:4][C:5](=[O:7])[CH3:6].[C:8]([C:12]1[CH:17]=[CH:16][C:15]([C:18](=O)[CH:19]=[O:20])=[CH:14][CH:13]=1)([CH3:11])([CH3:10])[CH3:9].FC1C=C(C(NN)=O)C=CC=1C(OC)=O.[Cl-].[Na+]>C(O)(=O)C.O>[C:8]([C:12]1[CH:17]=[CH:16][C:15]([C:18]2[N:2]([CH3:1])[N:3]=[C:4]([C:5](=[O:7])[CH3:6])[C:19]=2[OH:20])=[CH:14][CH:13]=1)([CH3:11])([CH3:10])[CH3:9]
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 4

HCID 5234Sodium ChlorideHCID 135124882-(4-(tert-Butyl)phenyl)-2-oxoacetaldehydeHCID 67050257Methyl 2-fluoro-4-hydrazinocarbonylbenzoateHCID 727702682-Oxopropanal methylhydrazone

生成物 1

HCID 670500841-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone収率 46%

試薬・触媒・溶媒 2

HCID 176
Acetic Acid
溶媒
HCID 962Water溶媒

反応条件

温度
100 °C

実験手順

2-Oxopropanal methylhydrazone (46.375 mmol, 4.64 g) synthesized in Reference Synthetic Example 1 and (4-tert-butylphenyl)(oxo)acetaldehyde synthesized in Reference Synthetic Example 4 (46.375 mmol, 8.82 g) were dissolved in acetic acid (140 mL) and stirred at 100° C. for 2 hours. The reactor was cooled to room temperature, and after addition of water (100 mL) and saturated aqueous sodium chloride (50 mL), it was extracted with chloroform three times. The resulting organic layer was dried and filtered, and the solvent was evaporated. The residue was purified by silica gel column chromatography (n-hexane/ethyl acetate=4/1) to give the desired product as a yellow solid (5.79 g, yield 46%).

後処理

  1. temperatureThe reactor was cooled to room temperature
  2. extractionwas extracted with chloroform three times
  3. customThe resulting organic layer was dried
  4. filtrationfiltered
  5. customthe solvent was evaporated
  6. customThe residue was purified by silica gel column chromatography (n-hexane/ethyl acetate=4/1)

出典と根拠

ORDレコード
ord-7026c5b40b254fad94f91dff883000d6
出典データセット
uspto-grants-2012_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08318796B2

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