[(Z)-10-acetyloxydec-5-enyl] acetate | 1428904-07-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [(Z)-10-acetyloxydec-5-enyl] acetate
• CAS: 1428904-07-7
• 化学式: C₁₄H₂₄O₄
• 分子量: 256.342
• InChiKey: ATTQOHBPGJEQNM-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-烯己酯 在 Grubbs catalyst first generation 作用下， 以 neat (no solvent) 为溶剂， 35.0 ℃ 、4.0 kPa 条件下， 反应 16.0h， 以62%的产率得到
  参考文献：
  名称：

  Z-Selective Ethenolysis with a Ruthenium Metathesis Catalyst: Experiment and Theory

  摘要：

  The Z-selective ethenolysis activity of chelated ruthenium metathesis catalysts was investigated with experiment and theory. A five-membered chelated catalyst that was successfully employed in Z-selective cross metathesis reactions has now been found to be highly active for Z-selective ethenolysis at low ethylene pressures, while tolerating a wide variety of functional groups. This phenomenon also affects its activity in cross metathesis reactions and prohibits crossover reactions of internal olefins via trisubstituted ruthenacyclobutane intermediates. In contrast, a related catalyst containing a six-membered chelated architecture is not active for ethenolysis and seems to react through different pathways more reminiscent of previous generations of ruthenium catalysts. Computational investigations of the effects of substitution on relevant transition states and ruthenacyclobutane intermediates revealed that the differences of activities are attributed to the steric repulsions of the anionic ligand with the chelating groups.

  DOI：

  10.1021/ja4010267

文献信息

• US6215019B1
  申请人：——

  公开号：US6215019B1

  公开（公告）日：2001-04-10