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

Potassium Carbonate → tert-butyl 4-[4-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-imidazol-1-yl]piperidine-1-carboxylate

HRID 1896652
ノート
印刷プレビュー

反応式

HRID 1896652 の反応式
[N:1]1[CH:6]=[CH:5][C:4](/[CH:7]=[N:8]/[CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)=[N:3][CH:2]=1.[F:22][C:23]1[CH:28]=[CH:27][C:26]([CH:29]([N+:40]#[C-:41])S(C2C=CC(C)=CC=2)(=O)=O)=[CH:25][CH:24]=1.C(=O)([O-])[O-].[K+].[K+].COC(C)(C)C>CN(C=O)C>[F:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]2[N:40]=[CH:41][N:8]([CH:9]3[CH2:10][CH2:11][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:13][CH2:14]3)[C:7]=2[C:4]2[CH:5]=[CH:6][N:1]=[CH:2][N:3]=2)=[CH:25][CH:24]=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 11430Potassium CarbonateHCID 15413tert-Butyl methyl etherHCID 10827289a-Tosyl-(4-fluorobenzyl) isocyanideHCID 178452095HCID 178452095、化合物

生成物 1

HCID 58235130tert-butyl 4-[4-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-imidazol-1-yl]piperidine-1-carboxylate

試薬・触媒・溶媒 1

HCID 6228
Dimethylformamide
溶媒

実験手順

A mixture of tert-butyl 4-{[(1E)-pyrimidin-4-ylmethylene]amino}piperidine-1-carboxylate (C13) (57.66 g, 198.6 mmol), 1-fluoro-4-{isocyano[(4-methylphenyl)sulfonyl]methyl}benzene (C2) (38.30 g, 132.4 mmol) and potassium carbonate (36.59 g, 264.8 mmol) in DMF (575 mL) was stirred for 18 hours. The reaction was filtered, and the solids were washed with ethyl acetate and discarded. The combined filtrates were diluted with ethyl acetate (1 L) and washed with water (2×1 L), and the combined aqueous layers were extracted with ethyl acetate (500 mL). Concentration of the combined organic layers in vacuo provided a solid, which was heated at reflux with tert-butyl methyl ether (400 mL), then cooled to room temperature and granulated for 1 hour. The solid was collected by filtration and washed with additional tert-butyl methyl ether; this filtrate was concentrated under reduced pressure and treated in the same way, using 75 mL of tert-butyl methyl ether, to obtain a second crop. The combined solids provided the product as a white solid. Yield: 41.70 g, 98.47 mmol, 74%. 1H NMR (400 MHz, CDCl3) δ 1.49 (s, 9H), 1.81-1.92 (m, 2H), 2.16 (br d, J=12 Hz, 2H), 2.77-2.85 (m, 2H), 4.30 (br s, 2H), 4.90 (tt, J=12.0, 3.8 Hz, 1H), 7.04 (dd, J=8.7, 8.7 Hz, 2H), 7.17 (dd, J=5.3, 1.4 Hz, 1H), 7.41 (dd, J=8.9, 5.4 Hz, 2H), 7.79 (s, 1H), 8.57 (d, J=5.4 Hz, 1H), 9.29 (d, J=1.5 Hz, 1H).

後処理

  1. filtrationThe reaction was filtered
  2. washthe solids were washed with ethyl acetate
  3. additionThe combined filtrates were diluted with ethyl acetate (1 L)
  4. washwashed with water (2×1 L)
  5. extractionthe combined aqueous layers were extracted with ethyl acetate (500 mL)
  6. customConcentration of the combined organic layers in vacuo provided a solid, which
  7. temperaturewas heated
  8. waitgranulated for 1 hour
  9. filtrationThe solid was collected by filtration
  10. washwashed with additional tert-butyl methyl ether
  11. concentrationthis filtrate was concentrated under reduced pressure
  12. additiontreated in the same way
  13. customto obtain a second crop

出典と根拠

ORDレコード
ord-202e7603be5b42ef8f16a72f7b19cdda
出典データセット
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08518944B2

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