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Ammonium Hydroxide → 5-(3-benzenesulfonylpropyl)-1-butyl-1H-pyrazole-3-carbonitrile

HRID 1984472
ノート
印刷プレビュー

反応式

HRID 1984472 の反応式
P(Cl)(Cl)(Cl)=O.[C:6]1([S:12]([CH2:15][CH2:16][CH2:17][C:18]2[N:22]([CH2:23][CH2:24][CH2:25][CH3:26])[N:21]=[C:20]([C:27]([NH2:29])=O)[CH:19]=2)(=[O:14])=[O:13])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[OH-].[NH4+]>>[C:6]1([S:12]([CH2:15][CH2:16][CH2:17][C:18]2[N:22]([CH2:23][CH2:24][CH2:25][CH3:26])[N:21]=[C:20]([C:27]#[N:29])[CH:19]=2)(=[O:13])=[O:14])[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=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

4

反応物 3

HCID 14923Ammonium HydroxideHCID 24813Phosphorus oxychlorideHCID 669590245-(3-benzenesulfonylpropyl)-1-butyl-1H-pyrazole-3-carboxamide

生成物 1

HCID 669583215-(3-benzenesulfonylpropyl)-1-butyl-1H-pyrazole-3-carbonitrile収率 86.5%

反応条件

温度
90 °C

実験手順

Phosphorus oxychloride (25 mL) was added to 5-(3-benzenesulfonylpropyl)-1-butyl-1H-pyrazole-3-carboxamide (10.4 g, 30.0 mmol) and heated to 90° C. for 2.5 hours. The reaction mixture was then cooled to ambient temperature and poured into ice water cooled by an ice bath. Additional ice was added to the reaction mixture and the pH of the mixture was adjusted to 8-9 by addition of 30% saturated aqueous ammonium hydroxide. The mixture was extracted with ethyl acetate and the combined organic layers were dried over magnesium sulfate, filtered, and concentrated under reduced pressure to afford 8.60 g of 5-(3-benzenesulfonylpropyl)-1-butyl-1H-pyrazole-3-carbonitrile.

後処理

  1. temperatureThe reaction mixture was then cooled to ambient temperature
  2. temperaturecooled by an ice bath
  3. additionAdditional ice was added to the reaction mixture
  4. extractionThe mixture was extracted with ethyl acetate
  5. dry with materialthe combined organic layers were dried over magnesium sulfate
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure

出典と根拠

ORDレコード
ord-d0de6135e2b840c193e5370f695833ee
出典データセット
uspto-grants-2009_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07544697B2

反応ノート

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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