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Trichloromethanesulfenyl chloride → 5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

HRID 70242
ノート
印刷プレビュー

反応式

HRID 70242 の反応式
Cl.[CH3:2][CH:3]([CH3:7])[C:4](=[NH:6])[NH2:5].[Cl:8][C:9](Cl)(Cl)[S:10]Cl.[OH-].[Na+]>C(Cl)Cl>[Cl:8][C:9]1[S:10][N:5]=[C:4]([CH:3]([CH3:7])[CH3:2])[N:6]=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

5

反応物 3

HCID 11666Trichloromethanesulfenyl chlorideHCID 14798Sodium HydroxideHCID 27820532-Methylpropanimidamide hydrochloride

生成物 1

HCID 128746835-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole収率 60.8%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

反応条件

温度
0 °C

実験手順

To a mixture of 2-methyl propanimidamide hydrochloride (5.0 g, 40.8 mmol), trichloromethanesulfenyl chloride (7.14 g, 38.4 mmol) in methylene chloride (200 mL) at 0° C. was added dropwise an aqueous solution of sodium hydroxide (50%, 9.9 mL) over 20 minutes. The reaction mixture was stirred for 2 h at 0° C. and then was allowed to warm to room temperature, and stirred for an additional 3 h. Ice was added to the reaction mixture, the mixture was separated, and the aqueous layer was extracted with methylene chloride (3×25 mL). The combined organic extracts were dried over magnesium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by medium pressure liquid chromatography (0 to 100% gradient of ethyl acetate in hexanes as eluant) to provide the title compound as a oil (3.8 g).

後処理

  1. temperatureto warm to room temperature
  2. stirringstirred for an additional 3 h
  3. additionIce was added to the reaction mixture
  4. customthe mixture was separated
  5. extractionthe aqueous layer was extracted with methylene chloride (3×25 mL)
  6. dry with materialThe combined organic extracts were dried over magnesium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe resulting residue was purified by medium pressure liquid chromatography (0 to 100% gradient of ethyl acetate in hexanes as eluant)

出典と根拠

ORDレコード
ord-ea9f97223aea4491bd7056a3dd4b20cc
出典データセット
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08822521B2

反応ノート

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