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

N-(2-aminoethyl)-N-ethyl-N-[2-(2-fluoropyridin-3-yloxy)ethyl]amine → N-[2-[N-ethyl-N-[2-(2-fluoropyridin-3-yloxy)ethyl]amino]ethyl]-7-bromo phenazine-1-carboxamide

HRID 2273653
ノート
印刷プレビュー

反応式

HRID 2273653 の反応式
[Br:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][CH:15]=1)[N:12]=[C:11]1[C:6]([CH:7]=[CH:8][CH:9]=[C:10]1[C:16]([OH:18])=O)=[N:5]2.[NH2:19][CH2:20][CH2:21][N:22]([CH2:33][CH3:34])[CH2:23][CH2:24][O:25][C:26]1[C:27]([F:32])=[N:28][CH:29]=[CH:30][CH:31]=1>S(Cl)(Cl)=O.ClCCl>[CH2:33]([N:22]([CH2:21][CH2:20][NH:19][C:16]([C:10]1[C:11]2[C:6](=[N:5][C:4]3[C:13]([N:12]=2)=[CH:14][CH:15]=[C:2]([Br:1])[CH:3]=3)[CH:7]=[CH:8][CH:9]=1)=[O:18])[CH2:23][CH2:24][O:25][C:26]1[C:27]([F:32])=[N:28][CH:29]=[CH:30][CH:31]=1)[CH3:34]
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 2

HCID 45258965N-(2-aminoethyl)-N-ethyl-N-[2-(2-fluoropyridin-3-yloxy)ethyl]amineHCID 592287517-Bromophenazine-1-carboxylic acid

生成物 1

HCID 52952476N-[2-[N-ethyl-N-[2-(2-fluoropyridin-3-yloxy)ethyl]amino]ethyl]-7-bromo phenazine-1-carboxamide収率 95.5%

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒HCID 24386Thionyl Chloride
溶媒

実験手順

A solution of 7-bromophenazine-1-carboxylic acid (81) (333 mg, 1.10 mmol) (Madelmont, J. C.; Chezal, J. M.: Moins, N.; Teulade, J. C.; Chavignon, O. Labelled analogues of halobenzamides as radiopharmaceuticals, WO 2008/012782A3) in thionyl chloride (8 mL) was refluxed, under argon, for 1 h. After cooling to room temperature, the solvent was evaporated under reduce pressure and the residue was dissolved in anhydrous toluene (5 mL). The solvent was evaporated under vacuum and the residue was dissolved in anhydrous dichloromethane (11 mL). A solution of compound 5 (300 mg, 1.32 mmol) in anhydrous dichloromethane (5 mL) was added, at 0° C. and the mixture was then stirred at room temperature for 24 h. The solvent was evaporated under reduce pressure and the residue was chromatographed (Al2O3, AcOEt) to give compound 82 (537 mg, 1.05 mmol) as a yellow oil. Yield 95%; Rf (Al2O3, AcOEt) 0.69; IR (CCl4) ν 1190, 1249, 1283, 1466, 1517, 1663, 2800-3000, 3250-3350 cm−1; 1H NMR (200 MHz, CDCl3) δ 1.09 (t, 3H, J=7.1 Hz), 2.80 (q, 2H, J=7.1 Hz), 2.86 (t, 2H, J=6.0 Hz), 3.00 (t, 2H, J=5.5 Hz), 3.70 (q, 2H, J=6.0 Hz), 4.04 (t, 2H, J=5.5 Hz), 6.75 (ddd, 1H, 5JH-F=0.8 Hz, J=4.8, 7.9 Hz), 6.93 (ddd, 1H, 4JH-F=10.1 Hz, J=1.5, 7.9 Hz), 7.45 (td, 1H, 4JH-F=1.5 Hz, J=1.5, 4.8 Hz), 7.71 (dd, 1H, J=2.0, 9.2 Hz), 7.82 (dd, 1H, J=7.1, 8.7 Hz), 7.89 (d, 1H, J=9.2 Hz), 8.15 (dd, 1H, J=1.5, 8.7 Hz), 8.23 (d, 1H, J=2.0 Hz), 8.84 (dd, 1H, J=1.5, 7.1 Hz), 10.79 (m, 1H); ESI-MS m/z 512.0 [M+H]+.

後処理

  1. customthe solvent was evaporated
  2. dissolutionthe residue was dissolved in anhydrous toluene (5 mL)
  3. customThe solvent was evaporated under vacuum
  4. dissolutionthe residue was dissolved in anhydrous dichloromethane (11 mL)
  5. customThe solvent was evaporated
  6. customthe residue was chromatographed (Al2O3, AcOEt)

出典と根拠

ORDレコード
ord-f71d8a5c720c452db0754762066a94ea
出典データセット
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09125937B2

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