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

Morpholine → (S)-4-(2-oxo-3-(7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl)pyrrolidin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide

HRID 420797
ノート
印刷プレビュー

反応式

HRID 420797 の反応式
FC1C=CC(S([N:11]([S:17]([C:20]2[CH:25]=[CH:24][C:23]([N:26]3[CH2:30][CH2:29][C@@H:28](O)[C:27]3=[O:32])=[CH:22][CH:21]=2)(=[O:19])=[O:18])[C:12]2[S:13][CH:14]=[CH:15][N:16]=2)(=O)=O)=CC=1.CCN(C(C)C)C(C)C.S(OS(C(F)(F)F)(=O)=O)(C(F)(F)F)(=O)=O.[F:57][C:58]([F:70])([F:69])[C:59]1[CH:68]=[C:67]2[C:62]([CH2:63][CH2:64][NH:65][CH2:66]2)=[CH:61][CH:60]=1.N1CCOCC1>C(Cl)Cl>[O:32]=[C:27]1[C@@H:28]([N:65]2[CH2:64][CH2:63][C:62]3[C:67](=[CH:68][C:59]([C:58]([F:57])([F:70])[F:69])=[CH:60][CH:61]=3)[CH2:66]2)[CH2:29][CH2:30][N:26]1[C:23]1[CH:24]=[CH:25][C:20]([S:17]([NH:11][C:12]2[S:13][CH:14]=[CH:15][N:16]=2)(=[O:19])=[O:18])=[CH:21][CH:22]=1
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 5

HCID 8083MorpholineHCID 67749Trifluoromethanesulfonic anhydrideHCID 81531DiisopropylethylamineHCID 103755517-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolineHCID 59593431(R)-4-fluoro-N-(4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenylsulfonyl)-N-(thiazol-2-yl)benzenesulfonamide

生成物 1

HCID 42602362
(S)-4-(2-oxo-3-(7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl)pyrrolidin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒3 回

反応条件

温度
-25 °C

実験手順

A solution of (R)-4-fluoro-N-(4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenylsulfonyl)-N-(thiazol-2-yl)benzenesulfonamide (12.4 g, 24.9 mmol) in DCM (80 mL) was stirred under nitrogen at −25° C. To the reaction mixture was added DIEA (9.6 g, 13 mL, 74.6 mmol) followed by dropwise addition of triflic anhydride (10.5 g, 6.30 mL, 37.3 mmol). The reaction mixture was stirred at −25° C. for 90 minutes. A solution of 7-trifluoromethyl-tetrahydroisoquinoline (5.0 g, 24.9 mmol) in DCM (10 mL) was added to the reaction mixture and stirring was continued under nitrogen at −25° C. for 1 h. Morpholine (4.33 g, 4.3 mL, 49.7 mmol) was added and the cooling bath was removed. The reaction mixture was stirred at room temperature for 30 minutes, concentrated under reduced pressure and purified by silica gel column chromatography (0.5-10% MeOH in DCM). The product obtained was taken up in DCM and precipitated by addition of Et2O providing a white solid (5.25 g, 40%), which was collected by filtration. 1H NMR (400 MHz, DMSO-d6) δ: 12.0 (s, 1H), 7.84 (dd, J=9.0, 22.8 Hz, 4H), 7.46 (bs, 2H), 7.32-7.30 (m, 1H), 7.26 (d, J=4.6 Hz, 1H), 6.83 (d, J=4.6 Hz, 1H), 4.12 (d, J=15.3 Hz, 1H), 3.92-3.78 (m, 4H), 3.15-3.10 (m, 1H), 2.90-2.83 (m, 3H), 2.34-2.27 (m, 1H) and 2.19-2.10 (m, 1H). LC/MS (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)), m/z: M+1 obs=523.3; tR=1.18 minMS (ESI) m/e (M+H+) 523.3, retention time: 1.18 min (10-99% CH3CN in H2O).

後処理

  1. stirringstirring
  2. waitwas continued under nitrogen at −25° C. for 1 h
  3. customthe cooling bath was removed
  4. stirringThe reaction mixture was stirred at room temperature for 30 minutes
  5. concentrationconcentrated under reduced pressure
  6. custompurified by silica gel column chromatography (0.5-10% MeOH in DCM)
  7. customThe product obtained
  8. customprecipitated by addition of Et2O providing a white solid (5.25 g, 40%), which
  9. filtrationwas collected by filtration

出典と根拠

ORDレコード
ord-0af46116ae504f8496c7959544b6eb49
出典データセット
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08097636B2

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