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

Cfc 113 → 5-chloro-1-isopropyl-1H-[1,2,4]triazole

HRID 1498177
ノート
印刷プレビュー

反応式

HRID 1498177 の反応式
[CH:1]([N:4]1[CH:8]=[N:7][CH:6]=[N:5]1)([CH3:3])[CH3:2].C([Li])CCC.[Cl:14]C(F)(Cl)C(F)(F)Cl>C1COCC1>[Cl:14][C:8]1[N:4]([CH:1]([CH3:3])[CH3:2])[N:5]=[CH:6][N:7]=1
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 3

HCID 6428Cfc 113HCID 127624431-(propan-2-yl)-1H-1,2,4-triazoleHCID 178418339Butyllithium2 回

生成物 1

HCID 541456465-chloro-1-isopropyl-1H-[1,2,4]triazole収率 141%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

Under an atmosphere of nitrogen a solution of 1-isopropyl-1H-[1,2,4]triazole (19 mmol) in THF (50 mL) at −78° C. was treated with n-butyllithium (11.4 mL, 2.5 M, 28.5 mmol) dropwise giving a cream yellow suspension. Further n-butyllithium (3.8 mL, 2.5 M, 9.5 mmol) was added after 1 h and stirring continued for a further 1.5 h. 1,1,2-trichlorotrifluoroethane (4.57 mL, 38 mmol) was added dropwise giving a dark brown solution. The resultant reaction mixture was stirred for 15 min before being quenched by the addition of saturated aqueous NaHCO3 (20 mL) then allowed to warm to RT. The resultant mixture was extracted twice with diethyl ether, the combined organic extracts dried (Na2SO4), filtered and concentrated in vacuo to give 5-Chloro-1-isopropyl-1H-[1,2,4]triazole as a dark oil (3.9 g) which was used in the subsequent step without further purification. 1H NMR δ (ppm) (CDCl3): 7.85 (1 H, s), 4.73-4.63 (1 H, m), 1.54-1.46 (6 H, m).

後処理

  1. customdropwise giving a cream yellow suspension
  2. customgiving a dark brown solution
  3. customThe resultant reaction mixture
  4. stirringwas stirred for 15 min
  5. custombefore being quenched by the addition of saturated aqueous NaHCO3 (20 mL)
  6. extractionThe resultant mixture was extracted twice with diethyl ether
  7. dry with materialthe combined organic extracts dried (Na2SO4)
  8. filtrationfiltered
  9. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-4473c5fefa5740438112e8cb1c18c405
出典データセット
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09198918B2

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