(2-pinacolatoboryl-5,15-bis(3,5-di-tert-butylphenyl)porphyrinate)nickel(II) | 855792-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (2-pinacolatoboryl-5,15-bis(3,5-di-tert-butylphenyl)porphyrinate)nickel(II)
• CAS: 855792-96-0
• 化学式: C₅₄H₆₃BN₄NiO₂
• 分子量: 869.621
• InChiKey: YRRQGXHMUYSQQQ-VZHGZWENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (2-pinacolatoboryl-5,15-bis(3,5-di-tert-butylphenyl)porphyrinate)nickel(II) 在 三苯基膦 作用下， 以 甲苯 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations

  摘要：

  2-硼代卟啉与Pt(cod)Cl₂反应，形成β-到-β铂桥联的卟啉二聚体，通过三苯基膦介导的还原消除反应转化为β-到-β直接连接的卟啉二聚体。

  DOI：

  10.1039/c5sc02553b
• 作为产物：
  描述：

  bis(acetylacetonate)nickel(II) 、 以 甲苯 为溶剂， 以94%的产率得到(2-pinacolatoboryl-5,15-bis(3,5-di-tert-butylphenyl)porphyrinate)nickel(II)
  参考文献：
  名称：

  Cyclic 2,12-Porphyrinylene Nanorings as a Porphyrin Analogue of Cycloparaphenylenes

  摘要：

  beta-to-beta Directly linked cyclic Ni(II) porphyrin trimer, tetramer, and pentamer ([3]CP, [4]CP, and [5]CP) have been synthesized by reaction of a 2,12-diborylated Ni(II) porphyrin with Pt(cod)Cl-2 followed by reductive elimination. The structures of these cyclic porphyrin arrays have been revealed by X-ray diffraction analysis. The strain energies of these cyclic oligomers are calculated to be 77, 57, and 47 kcal/mol for [3]CP, [4]CP, and [5]CP, respectively. Intramolecular excitation energy hopping was observed between the (3)(d,d) states of the Ni(II) porphyrins with rates of 3.0, 4.4, and 4.6 ps for [3]CP, [4]CP, and [5]CP, respectively, reflecting the close proximity of the Ni(II) centers.

  DOI：

  10.1021/ja513102m

文献信息

• Highly Regioselective Ir-Catalyzed β-Borylation of Porphyrins via C−H Bond Activation and Construction of β−β-Linked Diporphyrin
  作者：Hiroshi Hata、Hiroshi Shinokubo、Atsuhiro Osuka

  DOI：10.1021/ja051073r

  日期：2005.6.1

  Highly regioselective borylation of 5,15-diaryl- and 5,10,15-triarylporphyrins has been achieved by the reaction with bis(pinacolato)diborane under iridium catalysis. Borylated porphyrins are a useful building block for constructing porphyrin arrays, hence offering an effective route to beta-functionalized porphyrins.