methyl (1S,5R,6S)-5-[2-(5,8-diacetyloxynaphthalen-2-yl)ethyl]-1,5,6-trimethyl-2,3,4,6,7,8-hexahydronaphthalene-1-carboxylate | 1354241-40-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: methyl (1S,5R,6S)-5-[2-(5,8-diacetyloxynaphthalen-2-yl)ethyl]-1,5,6-trimethyl-2,3,4,6,7,8-hexahydronaphthalene-1-carboxylate
• CAS: 1354241-40-9
• 化学式: C₃₁H₃₈O₆
• 分子量: 506.639
• InChiKey: PGPSGUKYVVUSAP-YDDSMYCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (1S,5R,6S)-5-[2-(5,8-diacetyloxynaphthalen-2-yl)ethyl]-1,5,6-trimethyl-2,3,4,6,7,8-hexahydronaphthalene-1-carboxylate 在 methyl (1R,14R,15R,19S,20R)-5,8-diacetyloxy-1,15,19-trimethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10-pentaene-19-carboxylate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  An easy route to pentacyclic terpenylquinones

  摘要：

  Cyclisation of terpenylnaphthohydroquinone derivatives or terpenylquinone cycloadducts, obtained from methyl myrcecommunate, was performed in the presence of HI, I-2 or BF3 center dot OEt2 and provides efficient synthetic strategies for the preparation of pentacyclic terpenylquinones. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.080
• 作为产物：
  描述：

  (1S,4aR,5S,8aR)-5-[2'-(5'',8''-diacetoxy-naphthalen-2''-yl)-ethyl]-1,4a-dimethyl-6-methylene-decahydronaphthalene-1-carboxylic acid methyl ester 在 碘 作用下， 以 苯 为溶剂， 反应 22.0h， 生成 methyl (1S,5R,6S)-5-[2-(5,8-diacetyloxynaphthalen-2-yl)ethyl]-1,5,6-trimethyl-2,3,4,6,7,8-hexahydronaphthalene-1-carboxylate 、 methyl (1R,14R,15R,19S,20R)-5,8-diacetyloxy-1,15,19-trimethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10-pentaene-19-carboxylate
  参考文献：
  名称：

  An easy route to pentacyclic terpenylquinones

  摘要：

  Cyclisation of terpenylnaphthohydroquinone derivatives or terpenylquinone cycloadducts, obtained from methyl myrcecommunate, was performed in the presence of HI, I-2 or BF3 center dot OEt2 and provides efficient synthetic strategies for the preparation of pentacyclic terpenylquinones. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.080