4-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester | 1296671-43-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 4-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester
• CAS: 1296671-43-6
• 化学式: C₁₅H₂₀O₇
• 分子量: 312.32
• InChiKey: YSTICPKMMVUZGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  80.29
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 在 三氟化硼乙醚 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester
  参考文献：
  名称：

  New two-step sequence involving a hetero-Diels–Alder and a nonphenolic oxidative coupling reaction: a convergent access to analogs of steganacin

  摘要：

  A new family of analogs of steganacin, an important antimitotic compound, was accessed. It takes advantage of a completely stereoselective sequence of two key steps. The central dihydropyrane core is built by a highly diastereoselective and facially controlled hetero-Diels-Alder reaction. It is followed by a nonphenolic biaryl oxidative coupling with a complete atropo-stereoselectivity. It leads to a quick way to form cyclic biaryl lignans. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.097