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

Triethylamine → 1-(3-tert-Butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazole-5-yloxy)phenyl)methyl)urea

HRID 220224
ノート
印刷プレビュー

反応式

HRID 220224 の反応式
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11](=[O:18])OCC(Cl)(Cl)Cl)[N:7]([C:19]2[CH:24]=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH2:26][CH2:27][C:28]1[CH:46]=[C:45]([F:47])[CH:44]=[CH:43][C:29]=1[O:30][C:31]1[CH:32]=[C:33]2[C:37](=[CH:38][CH:39]=1)[N:36]([CH2:40][CH2:41][OH:42])[N:35]=[CH:34]2.C([N:50](CC)CC)C>CC(N(C)C)=O>[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:26][CH2:27][C:28]2[CH:46]=[C:45]([F:47])[CH:44]=[CH:43][C:29]=2[O:30][C:31]2[CH:32]=[C:33]3[C:37](=[CH:38][CH:39]=2)[N:36]([CH2:40][CH2:41][OH:42])[N:35]=[CH:34]3)=[O:18])[N:7]([C:19]2[CH:20]=[CH:21][C:22]([C:25]#[N:50])=[CH:23][CH:24]=2)[N:6]=1)([CH3:2])([CH3:3])[CH3:4]
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 8471TriethylamineHCID 99310942,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamateHCID 445421222-(5-(2-(Aminomethyl)-4-fluorophenoxy)-1H-indazol-1-yl)ethanol

生成物 1

HCID 687836801-(3-tert-Butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazole-5-yloxy)phenyl)methyl)urea収率 32.6%

試薬・触媒・溶媒 1

HCID 31374
Dimethylacetamide
溶媒

実験手順

2,2,2-Trichloroethyl 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-ylcarbamate (0.22 g, 0.529 mmol), 2-(5-(2-(aminomethyl)-4-fluorophenoxy)-1H-indazol-1-yl)ethanol (prepared as in Example 1, Steps E1-E6; 0.175 g, 0.582 mmol), and triethylamine were combined in a minimal amount of DMA and stirred at ambient temperature overnight. The reaction mixture was concentrated, and the residue was diluted with DCM. The DCM was washed with aqueous NH4Cl and aqueous Na2CO3. The organic layer was dried over MgSO4 and concentrated. The residue was purified by silica gel chromatography, eluting with 1% MeOH in ethyl acetate to provide 100 mg (32.6%) of the desired product. MS M+1 (568).

後処理

  1. concentrationThe reaction mixture was concentrated
  2. additionthe residue was diluted with DCM
  3. washThe DCM was washed with aqueous NH4Cl and aqueous Na2CO3
  4. dry with materialThe organic layer was dried over MgSO4
  5. concentrationconcentrated
  6. customThe residue was purified by silica gel chromatography
  7. washeluting with 1% MeOH in ethyl acetate

出典と根拠

ORDレコード
ord-8b01769cc7eb4309a298211f140dc960
出典データセット
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08202899B2

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