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Potassium thiocyanate → 2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl thiocyanate

HRID 1257469
ノート
印刷プレビュー

反応式

HRID 1257469 の反応式
Br[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11]([F:14])([F:13])[F:12])[CH:6]=1)=[O:4].[S-:15][C:16]#[N:17].[K+]>C(O)C.O>[O:4]=[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11]([F:14])([F:13])[F:12])[CH:6]=1)[CH2:2][S:15][C:16]#[N:17]
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 2

HCID 516872Potassium thiocyanateHCID 27783862-Bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one

生成物 1

HCID 862452532-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl thiocyanate収率 76.2%

試薬・触媒・溶媒 2

HCID 702Ethanol溶媒HCID 962Water溶媒

反応条件

温度
80 °C

実験手順

A solution of 2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone (20 g) in ethanol (100 mL) was heated to 60-70° C., and aqueous solution (10 mL) of potassium thiocyanate (8 g) was added dropwise. The reaction mixture was heated at 80° C. for 10 min, and the mixture was stirred at room temperature for 4 hr and diluted with water. The precipitate was collected by filtration, dissolved in ethyl acetate and dried over anhydrous sodium sulfate. The solvent was evaporated to give 2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl thiocyanate (14 g) as a solid. This solid (10 g) was dissolved in acetic acid (50 mL), and 48% hydrogen bromide-acetic acid solution (10 mL) was added. The reaction mixture was heated at 70-80° C. for 3 hr, and the solvent was evaporated under reduced pressure. The residue was dissolved in ethyl acetate and water, sodium bicarbonate was added, and the mixture was adjusted to pH 7. The ethyl acetate layer was separated, washed with saturated brine and dried over sodium sulfate, and the solvent was evaporated. The residue was purified by column chromatography (carrier: silica gel, eluent: hexane-ethyl acetate) to give the title compound (4.2 g) as a colorless solid.

後処理

  1. filtrationThe precipitate was collected by filtration
  2. dissolutiondissolved in ethyl acetate
  3. dry with materialdried over anhydrous sodium sulfate
  4. customThe solvent was evaporated

出典と根拠

ORDレコード
ord-3341c4da1a1d4f2dadc8a996b0ce95c9
出典データセット
uspto-grants-2013_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08461348B2

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