| 1370438-86-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1370438-86-0
• 化学式: C₆₉H₈₀O₁₀Si
• 分子量: 1097.47
• InChiKey: JVGXSQVARXTCPX-QTIYWXNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.11
• 重原子数：
  80.0
• 可旋转键数：
  27.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  103.3
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  在 chromium dichloride 、 锰 、 二氯二茂锆 、 C₁₄H₂₀N₂O₄S 、 C₁₆H₁₆N₂O₂*Cl₂Ni 、 碳酸氢钠 、 戴斯-马丁氧化剂 、 lithium chloride 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 、
  参考文献：
  名称：

  On Ni Catalysts for Catalytic, Asymmetric Ni/Cr-Mediated Coupling Reactions

  摘要：

  The importance of the Ni catalyst in achieving catalytic asymmetric Ni/Cr-mediated coupling reactions effectively is demonstrated. Six phenanthroline-NiCl2 complexes 1a-c and 2a-c and five types of alkenyl iodides A-E were chosen for the study, thereby demonstrating that these Ni catalysts display a wide range of overall reactivity profiles in terms of the degree of asymmetric induction, geometrical isomerization, and coupling rate. For three types of alkenyl iodides A-C, a satisfactory Ni catalyst(s) was found within 1a-c and 2a-c. For disubstituted (Z)-alkenyl iodide D, 2c was identified as an acceptable Ni catalyst: in terms of the absence of Z --> E isomerization and the degree of asymmetric induction but not in terms of the coupling rate. Two phosphine-based Ni catalysts, [(Me)(3)P](2)center dot NiCl2 and [(cy)(3)P](2)center dot NiCl2, were found to meet all three criteria for D. The bond-forming reaction at the C16-C17 position of palytoxin was used to demonstrate the usefulness of the Ni catalysts thus identified.

  DOI：

  10.1021/ja302177z