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

HCID 67412477、化合物 → (s)-5-(2,4-Difluorophenoxy)-1-isobutyl-1h-indazole-6-carboxylic acid (1-hydroxymethyl-3-isopropylaminopropyl)-amide

HRID 1715627
ノート
印刷プレビュー

反応式

HRID 1715627 の反応式
COC1C=CC(C[N:8]([CH:39]([CH3:41])[CH3:40])[CH2:9][CH2:10][C@H:11]([NH:14][C:15]([C:17]2[CH:25]=[C:24]3[C:20]([CH:21]=[N:22][N:23]3[CH2:26][CH:27]([CH3:29])[CH3:28])=[CH:19][C:18]=2[O:30][C:31]2[CH:36]=[CH:35][C:34]([F:37])=[CH:33][C:32]=2[F:38])=[O:16])[CH2:12][OH:13])=CC=1>CO.[Pd]>[OH:13][CH2:12][C@@H:11]([NH:14][C:15]([C:17]1[CH:25]=[C:24]2[C:20]([CH:21]=[N:22][N:23]2[CH2:26][CH:27]([CH3:28])[CH3:29])=[CH:19][C:18]=1[O:30][C:31]1[CH:36]=[CH:35][C:34]([F:37])=[CH:33][C:32]=1[F:38])=[O:16])[CH2:10][CH2:9][NH:8][CH:39]([CH3:41])[CH3:40]
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 1

HCID 67412477HCID 67412477、化合物

生成物 1

HCID 67411669(s)-5-(2,4-Difluorophenoxy)-1-isobutyl-1h-indazole-6-carboxylic acid (1-hydroxymethyl-3-isopropylaminopropyl)-amide収率 60%

試薬・触媒・溶媒 2

HCID 23938Palladium触媒HCID 887Methanol溶媒

実験手順

To a solution of (S)—N-(4-((4-methoxybenzyl)(isopropyl)amino)-1-hydroxybutan-2-yl)-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamide (0.020 g, 0.033 mmol) in MeOH (5 mL) was added wet Pd/C (0.020 g, 10% by weight). The mixture was purged with hydrogen several times and then stirred at room temperature under H2 atmosphere for 5 hours. The catalyst was removed by filtration and the filtrate was concentrated under reduced pressure. The residue was chromatographed eluting with 10% MeOH in dichloromethane with 2% triethylamine to provide 9.4 mg colorless gel (60% yield). MS (ESI+) m/z 475 (M+1) detected; 1H NMR (400 mHz, CDCl3) δ 8.40 (d, 1H), 8.31 (s, 1H), 7.87 (s, 1H), 7.13 (m, 1H), 7.03 (s, 1H), 7.01 (m, 1H), 6.91 (m, 1H), 4.33 (m, 1H), 4.22 (d, 2H), 3.69 (m, 2H), 2.69 (m, 2H), 2.37 (m, 2H), 1.32 (m, 2H), 1.09 (d, 3H), 1.01 (d, 3H), 0.93 (d, 6H).

後処理

  1. customThe mixture was purged with hydrogen several times
  2. customThe catalyst was removed by filtration
  3. concentrationthe filtrate was concentrated under reduced pressure
  4. customThe residue was chromatographed
  5. washeluting with 10% MeOH in dichloromethane with 2% triethylamine

出典と根拠

ORDレコード
ord-18884eec91d2462492cafb01318b90b7
出典データセット
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07799782B2

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