1,9-bis(3,5-di-tert-butyl-2-methoxyphenyl)-5-phenyldipyrrin | 1312816-23-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 1,9-bis(3,5-di-tert-butyl-2-methoxyphenyl)-5-phenyldipyrrin
• CAS: 1312816-23-1
• 化学式: C₄₅H₅₆N₂O₂
• 分子量: 656.952
• InChiKey: RHNHUNWRQKSPEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.71
• 重原子数：
  49.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.61
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,9-bis(3,5-di-tert-butyl-2-methoxyphenyl)-5-phenyldipyrrin 在 sodium hydride 、 十二硫醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以74%的产率得到1,9-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-5-phenyldipyrrin
  参考文献：
  名称：

  Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide

  摘要：

  New tetravalent metal complexes with a trianionic [ONNO]-tetradentate ligand and an ancillary chloride ligand were synthesized as catalysts for the copolymerization of epoxides with carbon dioxide (CO2). All of the titanium, zirconium, germanium, and tin complexes were found to copolymerize epoxides with CO2. In particular, the copolymerization of propylene oxide with CO2 gave the almost-completely alternating copolymers by using titanium or germanium complexes. These results are the first example of the copolymerization using tetravalent metal complexes as a main component of catalysts.

  DOI：

  10.1021/ja203382q
• 作为产物：
  描述：

  2-溴-4,6-二-叔-丁基苯酚 在 potassium carbonate 、 三氟乙酸 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 丙酮 为溶剂， 反应 69.0h， 生成 1,9-bis(3,5-di-tert-butyl-2-methoxyphenyl)-5-phenyldipyrrin
  参考文献：
  名称：

  Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide

  摘要：

  New tetravalent metal complexes with a trianionic [ONNO]-tetradentate ligand and an ancillary chloride ligand were synthesized as catalysts for the copolymerization of epoxides with carbon dioxide (CO2). All of the titanium, zirconium, germanium, and tin complexes were found to copolymerize epoxides with CO2. In particular, the copolymerization of propylene oxide with CO2 gave the almost-completely alternating copolymers by using titanium or germanium complexes. These results are the first example of the copolymerization using tetravalent metal complexes as a main component of catalysts.

  DOI：

  10.1021/ja203382q