[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(1,5-dimethoxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoate | 157029-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(1,5-dimethoxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoate
• CAS: 157029-32-8
• 化学式: C₃₁H₃₈O₇
• 分子量: 522.639
• InChiKey: WHRFUMLIKBMACN-GAUMVWGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 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：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(1,5-dimethoxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoate 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 fridamycin E methyl ester
  参考文献：
  名称：

  Titanium mediation of aldol reactions in fridamycin and vineomycinone syntheses

  摘要：

  Fridamycin E, derivatives of ent-fridamycin E and enantiopure intermediates for vineomycins have been synthesised using a titanium(IV)-mediated addition of (l)-menthyl acetate to acetonyl-substituted anthrarufin ethers.

  DOI：

  10.1016/s0040-4039(00)76903-6
• 作为产物：
  描述：

  1,5-dimethoxy-2-(oxopropyl)-9,10-anthra-quinone 、 在 三异丙氧基氯化钛 作用下， 生成 [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-4-(1,5-dimethoxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoate 、 [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(1,5-dimethoxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methylbutanoate
  参考文献：
  名称：

  Titanium mediation of aldol reactions in fridamycin and vineomycinone syntheses

  摘要：

  Fridamycin E, derivatives of ent-fridamycin E and enantiopure intermediates for vineomycins have been synthesised using a titanium(IV)-mediated addition of (l)-menthyl acetate to acetonyl-substituted anthrarufin ethers.

  DOI：

  10.1016/s0040-4039(00)76903-6

文献信息

• Titanium mediation of aldol reactions in fridamycin and vineomycinone syntheses
  作者：Gabrielle M. Pausler、Peter S. Rutledge

  DOI：10.1016/s0040-4039(00)76903-6

  日期：1994.5

  Fridamycin E, derivatives of ent-fridamycin E and enantiopure intermediates for vineomycins have been synthesised using a titanium(IV)-mediated addition of (l)-menthyl acetate to acetonyl-substituted anthrarufin ethers.