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Sodium Iodide → HCID 21877079、化合物

HRID 723620
ノート
印刷プレビュー

反応式

HRID 723620 の反応式
Cl[CH:2]([C:10](=[O:13])[CH2:11][CH3:12])[C:3](=[O:9])[C:4]([O:6][CH2:7][CH3:8])=[O:5].[Cl:14][C:15]1[CH:16]=[C:17]([SH:22])[CH:18]=[C:19]([Cl:21])[CH:20]=1.C(=O)([O-])[O-].[K+].[K+].[I-].[Na+]>CC(C)=O.O>[Cl:14][C:15]1[CH:16]=[C:17]([S:22][CH:2]([C:10](=[O:13])[CH2:11][CH3:12])[C:3](=[O:9])[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH:18]=[C:19]([Cl:21])[CH:20]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 5238Sodium IodideHCID 11430Potassium CarbonateHCID 27360963,5-DichlorobenzenethiolHCID 3006758Ethyl 3-chloro-2,4-dioxohexanoate

生成物 1

HCID 21877079HCID 21877079、化合物収率 102.4%

試薬・触媒・溶媒 2

HCID 180Acetone溶媒
HCID 962
Water
溶媒

実験手順

A solution of ethyl 3-chloro-2,4-dioxohexanoate (EP117082 A2) (7.10 g, 34.4 mmol) in acetone (175 ml) was treated with 3,5-dichlorothiophenol (6.16 g, 34.4 mmol), potassium carbonate (5.22 g, 37.8 mmol) and sodium iodide (5.16 g, 34.4 mmol) and the resulting mixture was stirred at room temperature for 18 hours. The reaction mixture was diluted with water (70 ml) and concentrated under reduced pressure. The residue was diluted with 2M aqueous hydrochloric acid (70 ml) and extracted with dichloromethane (3×150 ml). The combined organic extracts were dried over anhydrous magnesium sulphate, filtered and concentrated under reduced pressure. The crude product was purified by flash chromatography on silica gel eluting with a solvent gradient of cyclohexane:ethyl acetate (3:1, by volume) gradually changing to cyclohexane:ethyl acetate (1:1, by volume) to afford the title compound (12.3 g) as a red oil.

後処理

  1. concentrationconcentrated under reduced pressure
  2. additionThe residue was diluted with 2M aqueous hydrochloric acid (70 ml)
  3. extractionextracted with dichloromethane (3×150 ml)
  4. dry with materialThe combined organic extracts were dried over anhydrous magnesium sulphate
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe crude product was purified by flash chromatography on silica gel eluting with a solvent gradient of cyclohexane:ethyl acetate (3:1, by volume)

出典と根拠

ORDレコード
ord-30232e74876d4a9193258d96f4e35b18
出典データセット
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07141585B2

反応ノート

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