1,9-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-5-phenyldipyrrin | 1312816-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,9-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-5-phenyldipyrrin
• 英文别名: bis(di-tert-butyl-phenol)dipyrrin
• CAS: 1312816-22-0
• 化学式: C₄₃H₅₂N₂O₂
• 分子量: 628.898
• InChiKey: LEMOLMODHFONLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  47.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  68.61
• 氢给体数：
  3.0
• 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-hydroxyphenyl)-5-phenyldipyrrin 、 四氯化锗 在 NaH 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到[(1,9-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-5-phenyldipyrrin(-3H))GeCl]
  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-bromo-4,6-di-tert-butylanisole 在 sodium hydride 、 三氟乙酸 、 zinc(II) chloride 、 十二硫醇 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 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

文献信息

• Ligand-Centered Redox Activity in Cobalt(II) and Nickel(II) Bis(phenolate)-Dipyrrin Complexes
  作者：Amélie Kochem、Linus Chiang、Benoit Baptiste、Christian Philouze、Nicolas Leconte、Olivier Jarjayes、Tim Storr、Fabrice Thomas

  DOI：10.1002/chem.201202882

  日期：2012.11.12

  trianionic ligand containing the biologically relevant moieties phenolate and porphyrin was designed and synthesized. One‐electron oxidation of the nickel and cobalt complexes of these ligands affords an unprecedented and highly stable hybrid porphyrinyl–phenoxyl radical bound to the metal center. Two‐electron oxidation of these complexes leads to the M2+–(close‐shell two‐electron oxidized ligand) species

  一切皆有：设计并合成了包含生物相关部分酚盐和卟啉的三阴离子配体。这些配体的镍和钴配合物的单电子氧化提供了前所未有的且高度稳定的杂卟啉-苯氧基自由基键合到金属中心。这些络合物的二电子氧化导致M 2+ –（闭壳二电子氧化配体）物种。