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

Phosphorus oxychloride → 4-Chloroimidazo(2,1-f)(1,2,4)triazine

HRID 709931
ノート
印刷プレビュー

反応式

HRID 709931 の反応式
[CH:1]1[N:5]=[C:4]2[C:6]([N:8]=[CH:9][NH:10][N:3]2[CH:2]=1)=O.O=P(Cl)(Cl)[Cl:13]>>[CH:1]1[N:5]=[C:4]2[C:6]([Cl:13])=[N:8][CH:9]=[N:10][N:3]2[CH:2]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

3

反応物 2

HCID 24813Phosphorus oxychlorideHCID 178518231HCID 178518231、化合物

生成物 1

HCID 457897354-Chloroimidazo(2,1-f)(1,2,4)triazine

実験手順

A mixture of ethyl 1-amino-1H-imidazole-2-carboxylate (C-4) (800 mg, 5.16 mmol, 1.0 eq) and formamidine acetate (2.68 g, 25.78 mmol, 5.0 eq) in EtOH (100 mL) is stirred at reflux overnight. The resulting mixture is cooled to RT. The solid is collected by filtration, rinsed with EtOH (3×2 mL) and petroleum ether (2 mL×3), and then dried in vacuo to afford the product, imidazo[1,2-f][1,2,4]triazin-4-ol (C-5). Imidazo[1,2-f][1,2,4]triazin-4-ol (C-5) (400 mg, 2.94 mmol, 1.0 eq) is dissolved in POCl3 (10 mL, 109.2 mmol, 37.1 eq) and the resulting mixture is stirred at reflux for 2 h. The mixture is concentrated in vacuo to remove POCl3. The residue is poured into ice water (30 mL) and neutralized with saturated aqueous NaHCO3 solution to adjust the pH to 6-7 while keeping the temperature below 5° C. The mixture is extracted with ethyl acetate (30 mL×4). The combined organic layers are washed with brine, dried over Na2SO4 and filtered. The filtrate is concentrated in vacuo and the residue is purified by flash column chromatography on silica gel (16% ethyl acetate in petro ether) to afford the product, 4-chloroimidazo[1,2-f][1,2,4]triazine (C-6).

後処理

  1. temperatureat reflux for 2 h
  2. concentrationThe mixture is concentrated in vacuo
  3. customto remove POCl3
  4. additionThe residue is poured into ice water (30 mL)
  5. customthe temperature below 5° C
  6. extractionThe mixture is extracted with ethyl acetate (30 mL×4)
  7. washThe combined organic layers are washed with brine
  8. dry with materialdried over Na2SO4
  9. filtrationfiltered
  10. concentrationThe filtrate is concentrated in vacuo
  11. customthe residue is purified by flash column chromatography on silica gel (16% ethyl acetate in petro ether)

出典と根拠

ORDレコード
ord-d7b95ac50e0f4feb896d41ef483528f6
出典データセット
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09181221B2

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