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Phosphorus oxychloride → 1-Chloro-6-ethoxyisoquinoline

HRID 1821601
ノート
印刷プレビュー

反応式

HRID 1821601 の反応式
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][CH:13]=1)[C:10](=O)[NH:9][CH:8]=[CH:7]2)[CH3:2].O=P(Cl)(Cl)[Cl:17]>>[Cl:17][C:10]1[C:11]2[C:6](=[CH:5][C:4]([O:3][CH2:1][CH3:2])=[CH:13][CH:12]=2)[CH:7]=[CH:8][N:9]=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

3

反応物 2

HCID 24813Phosphorus oxychlorideHCID 578930896-Ethoxyisoquinolin-1(2H)-one

生成物 1

HCID 578931101-Chloro-6-ethoxyisoquinoline収率 88%

反応条件

温度
110 °C

実験手順

A suspension of 6-Ethoxy-2H-isoquinolin-1-one (896 mg, 4.74 mmol) in POCl3 (4 mL) was heated at 110° C. for 3 h (clear solution obtained upon heating). After 3 h, the reaction mixture was concentrated under reduced pressure. The residue was poured into iced water (10 mL), pH was then adjusted to 10 with 3N NaOH and extracted with CHCl3 (3×25 mL). The combined CHCl3 layers were washed with brine and dried (MgSO4). The organic layer was then filtered and concentrated to give 1-chloro-6-ethoxy-isoquinoline (866 mg, 4.18 mmol, 88% yield, >90% pure) as tan solid. MS m/z 208 (M++H).

後処理

  • custom(clear solution obtained upon heating)
  • concentrationthe reaction mixture was concentrated under reduced pressure
  • additionThe residue was poured into iced water (10 mL), pH
  • extractionextracted with CHCl3 (3×25 mL)
  • washThe combined CHCl3 layers were washed with brine
  • dry with materialdried (MgSO4)
  • filtrationThe organic layer was then filtered
  • concentrationconcentrated
  • 出典と根拠

    ORDレコード
    ord-05aae665e95a47098335e898e6c56931
    出典データセット
    uspto-grants-2009_10
    DOI
    10.6084/m9.figshare.5104873.v1
    特許番号
    US07608592B2

    反応ノート

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