1-(2-methyl-4-methoxyphenyl)isochroman | 1352941-19-5

• 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: 1-(2-methyl-4-methoxyphenyl)isochroman
• 英文别名: 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isochromene
• CAS: 1352941-19-5
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: NWXMOGDUBADBPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异色满 、 间甲基苯甲醚 在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 copper dichloride 作用下， 反应 36.0h， 以68%的产率得到1-(2-methyl-4-methoxyphenyl)isochroman
  参考文献：
  名称：

  Oxidative Arylation of Isochroman

  摘要：

  We report the use of a previously intractable nucleophile, anisole, in an oxidative "cross-dehydrogenative coupling" (CDC) reaction with the cyclic ether isochroman, as well as derivatives of both components. Metal catalysis was required for the reaction to proceed efficiently, and the reaction is highly sensitive to modification of either coupling partner but is able to produce a range of novel compounds via what is a synthetic alternative to the traditional oxa-Pictet-Spengler reaction.

  DOI：

  10.1021/jo2021373

文献信息

• Oxidative Arylation of Isochroman
  作者：Soo J. Park、Jason R. Price、Matthew H. Todd

  DOI：10.1021/jo2021373

  日期：2012.1.20

  We report the use of a previously intractable nucleophile, anisole, in an oxidative "cross-dehydrogenative coupling" (CDC) reaction with the cyclic ether isochroman, as well as derivatives of both components. Metal catalysis was required for the reaction to proceed efficiently, and the reaction is highly sensitive to modification of either coupling partner but is able to produce a range of novel compounds via what is a synthetic alternative to the traditional oxa-Pictet-Spengler reaction.