ethyl 2-(9a-acetoxy-5-methoxy-2-methyl-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracen-1-yl)acetate | 1199588-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: ethyl 2-(9a-acetoxy-5-methoxy-2-methyl-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracen-1-yl)acetate
• CAS: 1199588-95-8
• 化学式: C₂₂H₂₄O₇
• 分子量: 400.428
• InChiKey: JYVZQURXVAUCRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  95.97
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-(9a-acetoxy-5-methoxy-2-methyl-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracen-1-yl)acetate 在 air 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 以76%的产率得到Ethyl 2-(5-methoxy-2-methyl-9,10-dioxoanthracen-1-yl)acetate
  参考文献：
  名称：

  The first total synthesis and structural determination of benzopyrenomycin

  摘要：

  The first total synthesis and structural determination of benzopyrenomycin has been achieved. This synthesis contains remarkable transformations including cyclization to afford the benzanthrone skeleton, syn-selective vinylogous Mukaiyama aldol reaction, and radical cyclization with the benzanthrone attaching the iodoalkane chain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.089
• 作为产物：
  描述：

  2-Acetoxy-5-methoxy-[1,4]naphthochinon 、 ethyl (E)-4-methyl-3,5-hexadienoate 以 甲苯 为溶剂， 以74%的产率得到ethyl 2-(9a-acetoxy-5-methoxy-2-methyl-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracen-1-yl)acetate
  参考文献：
  名称：

  The first total synthesis and structural determination of benzopyrenomycin

  摘要：

  The first total synthesis and structural determination of benzopyrenomycin has been achieved. This synthesis contains remarkable transformations including cyclization to afford the benzanthrone skeleton, syn-selective vinylogous Mukaiyama aldol reaction, and radical cyclization with the benzanthrone attaching the iodoalkane chain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.089