3-(cyclohex-1-enyl)-1-methoxy-4-(p-nitrophenylsulfenyl)-1H-isochromene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(cyclohex-1-enyl)-1-methoxy-4-(p-nitrophenylsulfenyl)-1H-isochromene
• 英文别名: 3-(cyclohexen-1-yl)-1-methoxy-4-(4-nitrophenyl)sulfanyl-1H-isochromene
• 化学式: C₂₂H₂₁NO₄S
• 分子量: 395.479
• InChiKey: BKXSQDDDLZLRMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-乙炔基环己烷 在 palladium catalyst copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-(cyclohex-1-enyl)-1-methoxy-4-(p-nitrophenylsulfenyl)-1H-isochromene
  参考文献：
  名称：

  Syntheses of Isochromenes and Naphthalenes by Electrophilic Cyclization of Acetylenic Arenecarboxaldehydes

  摘要：

  Highly substituted 1H-isochromenes, isobenzofurans, and pyranopyridines can be prepared by allowing o-(1-alkynyl)arenecarboxaldehydes and ketones to react with I-2, ICI, NIS, Br-2, NBS, p-O2NC6H4SCl, or PhSeBr and various alcohols or carbon-based nucleophiles at room temperature. Naphthyl ketones and iodides are also readily prepared by the reaction of 2-(1-alkynyl)arenecarboxaldehydes with 12 and simple olefins or alkynes.

  DOI：

  10.1021/jo0524573

文献信息

• Syntheses of Isochromenes and Naphthalenes by Electrophilic Cyclization of Acetylenic Arenecarboxaldehydes
  作者：Dawei Yue、Nicola Della Cá、Richard C. Larock

  DOI：10.1021/jo0524573

  日期：2006.4.1

  Highly substituted 1H-isochromenes, isobenzofurans, and pyranopyridines can be prepared by allowing o-(1-alkynyl)arenecarboxaldehydes and ketones to react with I-2, ICI, NIS, Br-2, NBS, p-O2NC6H4SCl, or PhSeBr and various alcohols or carbon-based nucleophiles at room temperature. Naphthyl ketones and iodides are also readily prepared by the reaction of 2-(1-alkynyl)arenecarboxaldehydes with 12 and simple olefins or alkynes.