5,5'-bis(phenylhydroxymethyl)-4,4'-dipropyl-2,2'-bipyrrole | 926632-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5,5'-bis(phenylhydroxymethyl)-4,4'-dipropyl-2,2'-bipyrrole
• CAS: 926632-63-5
• 化学式: C₂₈H₃₂N₂O₂
• 分子量: 428.574
• InChiKey: DMKGIDNZYXEEOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.08
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.04
• 氢给体数：
  4.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5,5'-bis(phenylhydroxymethyl)-4,4'-dipropyl-2,2'-bipyrrole 在 4-二甲氨基吡啶 、 二碳酸二叔丁酯 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以82%的产率得到6,6'-diphenyl-4,4'-dipropyl-2,2'-bis(azafulvene)
  参考文献：
  名称：

  Synthesis and structures of cobalt(II) complexes of meso-tetraphenyloctaphyrin(1.0.1.0.1.0.1.0)s

  摘要：

  Some meso-tetraphenyloctaphyrin(1.0. 1.0. 1.0. 1.0)s and their Co(II) complexes were prepared and characterized on the basis of the (1)H NMR spectra and X-ray crystallography. These octaphyrins have a figure eight structure. The methyl and methylene protons directly bound to the bipyrrole beta-position at the crossing point of the figure eight loop were very close to Co(H) and showed their (1)H NMR resonances in the range of 30-300 ppm. The insertion of Co(II) into the octaphyrin with mixed 2,2'-bipyrrole units of different substitution pattern induced transposition of the sterically more congested 2,2'-bipyrrole unit from the crossing point of the figure eight loop to the periphery. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.04.045
• 作为产物：
  描述：

  5,5'-diformyl-4,4'-dipropyl-2,2'-bipyrrole 、 苯基锂 以 四氢呋喃 、 乙醚 、 环己烷 为溶剂， 反应 3.5h， 以83%的产率得到5,5'-bis(phenylhydroxymethyl)-4,4'-dipropyl-2,2'-bipyrrole
  参考文献：
  名称：

  Synthesis and structures of cobalt(II) complexes of meso-tetraphenyloctaphyrin(1.0.1.0.1.0.1.0)s

  摘要：

  Some meso-tetraphenyloctaphyrin(1.0. 1.0. 1.0. 1.0)s and their Co(II) complexes were prepared and characterized on the basis of the (1)H NMR spectra and X-ray crystallography. These octaphyrins have a figure eight structure. The methyl and methylene protons directly bound to the bipyrrole beta-position at the crossing point of the figure eight loop were very close to Co(H) and showed their (1)H NMR resonances in the range of 30-300 ppm. The insertion of Co(II) into the octaphyrin with mixed 2,2'-bipyrrole units of different substitution pattern induced transposition of the sterically more congested 2,2'-bipyrrole unit from the crossing point of the figure eight loop to the periphery. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.04.045