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Hydrogen Peroxide → 2-((6-(1-Methyl-1H-pyrazol-4-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)benzamide

HRID 594960
ノート
印刷プレビュー

反応式

HRID 594960 の反応式
[CH3:1][N:2]1[CH:6]=[C:5]([NH:7][C:8]2[N:13]=[C:12]3[N:14]([CH2:17][C:18]4[CH:25]=[CH:24][CH:23]=[CH:22][C:19]=4[C:20]#[N:21])[N:15]=[CH:16][C:11]3=[CH:10][N:9]=2)[CH:4]=[N:3]1.[OH-:26].[Na+].OO>O.C(O)C.CCOC(C)=O>[CH3:1][N:2]1[CH:6]=[C:5]([NH:7][C:8]2[N:13]=[C:12]3[N:14]([CH2:17][C:18]4[CH:25]=[CH:24][CH:23]=[CH:22][C:19]=4[C:20]([NH2:21])=[O:26])[N:15]=[CH:16][C:11]3=[CH:10][N:9]=2)[CH:4]=[N:3]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 3

HCID 784Hydrogen PeroxideHCID 14798Sodium HydroxideHCID 671122832-((6-(1-Methyl-1H-pyrazol-4-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)benzonitrile

生成物 1

HCID 529143862-((6-(1-Methyl-1H-pyrazol-4-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)benzamide

試薬・触媒・溶媒 3

HCID 702Ethanol溶媒
HCID 962
Water
溶媒
HCID 8857Ethyl Acetate溶媒

反応条件

温度
60 °C

実験手順

A suspension of 2-((6-(1-methyl-1H-pyrazol-4-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)benzonitrile (see Example 1) (40 mg, 0.24 mmol), sodium hydroxide (0.5 mL, 1M in H2O) and hydrogen peroxide (0.2 mL of a 33% solution in water) in ethanol (5 mL) was heated at 60° C. for 3 h. After cooling to rt the mixture was diluted with EtOAc and washed with water. The organic phase was collected, dried (MgSO4) and concentrated in vacuo to give the title product. 1H NMR (d6-DMSO) δ 9.95 (s, 1H), 8.99 (s, 1H), 8.10-8.16 (m, 3H), 7.66 (s, 1H), 7.60 (dd, 1H), 7.54 (s, 1H), 7.37-7.40 (m, 2H), 6.95 (br s, 1H), 5.85 (s, 2H), 3.88 (s, 3H); LC-MS method B, (ES+) 349.1, RT=6.46 min.

後処理

  1. temperatureAfter cooling to rt the mixture
  2. washwashed with water
  3. customThe organic phase was collected
  4. dry with materialdried (MgSO4)
  5. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-2860604da1c145b78ceb00c09c6adf08
出典データセット
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09242987B2

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