3,22-Bis(diphenylphosphorylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene | 1023987-71-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,22-Bis(diphenylphosphorylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene
• 英文别名: 3,22-bis(diphenylphosphorylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene
• CAS: 1023987-71-4
• 化学式: C₄₈H₅₀O₄P₂
• 分子量: 752.87
• InChiKey: YOXOOTHUEXQNLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,22-Bis(diphenylphosphorylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene 在 三氯硅烷 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以56%的产率得到[22-(Diphenylphosphanylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaen-3-yl]methyl-diphenylphosphane
  参考文献：
  名称：

  Novel atropisomeric bisphosphine ligands with a bridge across the 5,5′-position of the biphenyl for asymmetric catalysis

  摘要：

  A new type of atropisomeric bisphosphine ligand 2 with a bridge across the 5,5'-position of the biphenyl has been developed. The axial chirality of this type of ligands can be retained by macrocyclic ring strain produced from 5,5'-linkage of the biphenyl even without 6,6'-substituents on the biphenyls. Ligand (R)-2a showed good catalytic activity and enantioselectivity for Rh(I)-catalyzed asymmetric hydrogenation of (Z)-alpha-acetamidocinnamic acid 11. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.01.023
• 作为产物：
  描述：

  3,22-Bis(chloromethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene 、 Diphenylphosphine oxide 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 以91%的产率得到3,22-Bis(diphenylphosphorylmethyl)-7,18-dioxatricyclo[17.3.1.12,6]tetracosa-1(22),2,4,6(24),19(23),20-hexaene
  参考文献：
  名称：

  Novel atropisomeric bisphosphine ligands with a bridge across the 5,5′-position of the biphenyl for asymmetric catalysis

  摘要：

  A new type of atropisomeric bisphosphine ligand 2 with a bridge across the 5,5'-position of the biphenyl has been developed. The axial chirality of this type of ligands can be retained by macrocyclic ring strain produced from 5,5'-linkage of the biphenyl even without 6,6'-substituents on the biphenyls. Ligand (R)-2a showed good catalytic activity and enantioselectivity for Rh(I)-catalyzed asymmetric hydrogenation of (Z)-alpha-acetamidocinnamic acid 11. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.01.023