1-[4-Methyl-2-(2-methylbut-3-yn-2-yloxy)-5-phenylmethoxyphenyl]ethanone | 1037508-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-Methyl-2-(2-methylbut-3-yn-2-yloxy)-5-phenylmethoxyphenyl]ethanone
• CAS: 1037508-88-5
• 化学式: C₂₁H₂₂O₃
• 分子量: 322.404
• InChiKey: CWWBJDYTFPGMOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-Methyl-2-(2-methylbut-3-yn-2-yloxy)-5-phenylmethoxyphenyl]ethanone 在 Lindlar's catalyst 喹啉 、 氢气 作用下， 以 正己烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以92%的产率得到5-benzyloxy-2-(1,1-dimethylprop-2-en-1-yl)oxy-4-methylacetophenone
  参考文献：
  名称：

  A stereoselective route towards heliannuol A

  摘要：

  Both epimers of Heliannuol A, first heliannane reported in the literature, isolated from Heliannthus annuus, have been prepared individually in a stereoselective route using a ring closing metathesis (RCM) as a key step to obtain the eight-membered ring. Very good overall yield was obtained in both cases. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.03.105
• 作为产物：
  描述：

  3-氯-3-甲基-1-丁炔 、 5-苄氧基-2-羟基-4-甲基苯乙酮 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以95%的产率得到1-[4-Methyl-2-(2-methylbut-3-yn-2-yloxy)-5-phenylmethoxyphenyl]ethanone
  参考文献：
  名称：

  A stereoselective route towards heliannuol A

  摘要：

  Both epimers of Heliannuol A, first heliannane reported in the literature, isolated from Heliannthus annuus, have been prepared individually in a stereoselective route using a ring closing metathesis (RCM) as a key step to obtain the eight-membered ring. Very good overall yield was obtained in both cases. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.03.105

文献信息

• A stereoselective route towards heliannuol A
  作者：Francisco A. Macías、David Chinchilla、Jose M.G. Molinillo、Frank R. Fronczek、Kozo Shishido

  DOI：10.1016/j.tet.2008.03.105

  日期：2008.6

  Both epimers of Heliannuol A, first heliannane reported in the literature, isolated from Heliannthus annuus, have been prepared individually in a stereoselective route using a ring closing metathesis (RCM) as a key step to obtain the eight-membered ring. Very good overall yield was obtained in both cases. (C) 2008 Published by Elsevier Ltd.