4-ethyl-2,2-dimethyl-2,4-dihydro-1H-benzo[f]isochromene | 1448599-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 4-ethyl-2,2-dimethyl-2,4-dihydro-1H-benzo[f]isochromene
• 英文别名: 4-Ethyl-2,2-dimethyl-1,4-dihydrobenzo[f]isochromene；4-ethyl-2,2-dimethyl-1,4-dihydrobenzo[f]isochromene
• CAS: 1448599-66-3
• 化学式: C₁₇H₂₀O
• 分子量: 240.345
• InChiKey: XPLQACOQHPZKGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-ethyl-2,2-dimethyl-2,4-dihydro-1H-benzo[f]isochromene 在 air 作用下， 生成 2,2-dimethyl-1H-benzo[f]isochromen-4-one
  参考文献：
  名称：

  Atom Economical, One-Pot, Three-Reaction Cascade to Novel Tricyclic 2,4-Dihydro-1H-benzo[f]isochromenes

  摘要：

  Reaction of 6-methyl-1-phenylhept-3-yne-2,6-diol with various aldehydes under Lewis acid conditions provides an atom economical, two-component cascade reaction sequence to novel 2,4-dihydro-1H-benzo[f]isochromene compounds. Aliphatic aldehydes as well as electron-deficient and -rich aromatic aldehydes can be used.

  DOI：

  10.1021/ol401600j
• 作为产物：
  描述：

  6-methyl-1-phenylhept-3-yne-2,6-diol 、 丙醛 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以38%的产率得到4-ethyl-2,2-dimethyl-2,4-dihydro-1H-benzo[f]isochromene
  参考文献：
  名称：

  Atom Economical, One-Pot, Three-Reaction Cascade to Novel Tricyclic 2,4-Dihydro-1H-benzo[f]isochromenes

  摘要：

  Reaction of 6-methyl-1-phenylhept-3-yne-2,6-diol with various aldehydes under Lewis acid conditions provides an atom economical, two-component cascade reaction sequence to novel 2,4-dihydro-1H-benzo[f]isochromene compounds. Aliphatic aldehydes as well as electron-deficient and -rich aromatic aldehydes can be used.

  DOI：

  10.1021/ol401600j

文献信息

• Atom Economical, One-Pot, Three-Reaction Cascade to Novel Tricyclic 2,4-Dihydro-1<i>H</i>-benzo[<i>f</i>]isochromenes
  作者：Robert J. Hinkle、Shane E. Lewis

  DOI：10.1021/ol401600j

  日期：2013.8.16

  Reaction of 6-methyl-1-phenylhept-3-yne-2,6-diol with various aldehydes under Lewis acid conditions provides an atom economical, two-component cascade reaction sequence to novel 2,4-dihydro-1H-benzo[f]isochromene compounds. Aliphatic aldehydes as well as electron-deficient and -rich aromatic aldehydes can be used.