| 1370407-01-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1370407-01-4
• 化学式: C₃₃H₄₀O₇
• 分子量: 548.676
• InChiKey: KNJBABCLDFSEHU-PWQUVRAESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.04
• 重原子数：
  40.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  75.61
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 碳酸氢钠 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以92%的产率得到(2S,3S,4R,5S,6R)-3,4,5-Tris-benzyloxy-6-((S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-tetrahydro-pyran-2-carbaldehyde
  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