[5,15-bis(3,5-di-tert-butylphenyl)porphyrinato]copper(II) | 220529-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: [5,15-bis(3,5-di-tert-butylphenyl)porphyrinato]copper(II)
• 英文别名: 10,20-bis(3,5-di-t-butylphenyl)porphyrinatocopper(II)；5,15-bis(3,5-di-t-butylphenyl)porphyrinatocopper(II)；5,15-di(3,5-di-tert-butylphenyl)-21H,23H-porphine copper(II)；(5,15-bis(3,5-di-tert-butylphenyl)porphyrinate)copper(II)；(10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)copper(II)；copper(II) 5,15-di(3,5-di-tert-butylphenyl)porphyrin
• CAS: 220529-50-0
• 化学式: C₄₈H₅₂CuN₄
• 分子量: 748.514
• InChiKey: VPSFXJMODFVAFJ-GRCOOJFLSA-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：

  [5,15-bis(3,5-di-tert-butylphenyl)porphyrinato]copper(II) 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以85 %的产率得到[5,15-dibromo-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato]copper(II)
  参考文献：
  名称：

  C–N linked donor type porphyrin derivatives: unrevealed hole-transporting materials for efficient hybrid perovskite solar cells

  摘要：

  一系列新型锌（ii）和铜（ii）基卟啉复合物与咔唑单元双重官能化，为过氧化物太阳能电池的高效空穴传输材料铺平了道路。

  DOI：

  10.1039/d3dt00512g
• 作为产物：
  描述：

  5,15-bis(3',5'-di-tert-butylphenyl)porphyrin 在 copper diacetate 作用下， 生成 [5,15-bis(3,5-di-tert-butylphenyl)porphyrinato]copper(II)
  参考文献：
  名称：

  自组装叶绿体细菌叶绿素的模拟：酰基（1-羟烷基）卟啉的区域和立体选择性合成和立体分析

  摘要：

  在短反应时间、高浓度催化剂和 0-4 摄氏度下，使用 Friedel-Crafts 条件对 10,20-双（3,5-二叔丁基苯基卟啉）铜进行二酰化，仅提供 3,17-二酰基取代的卟啉，在 12 种可能的区域异构体中。在更长的反应时间和更高的温度下，还会形成 3,13-二酰基化合物，两种异构体可以通过常规色谱技术方便地分离。这些二酮的单还原以良好的产量提供相应的酰基（1-羟烷基）卟啉，在锌金属化后，它们是天然叶绿体细菌叶绿素 (BChl) d 的模拟物。在各种手性色谱柱上实现并进一步优化了 HPLC 对消旋体的拆分，从而可以轻松获得对映纯的卟啉。在这方面，对映选择性还原被证明不太有效，产量适中，在最好的情况下只有 79% ee。3(1)-立体中心的绝对构型由独立的化学和光谱方法指定。各种这些锌 BChl d 模拟物的自组装证明羟烷基取代基与锌原子和羰基取代基的共线排列不是严格的要求，因为 3

  DOI：

  10.1021/ja905628h

文献信息

• Resonance Raman Characterization of Excitonically Coupled <i>m</i><i>eso,</i><i>m</i><i>eso</i>-Linked Porphyrin Arrays
  作者：Anwar A. Bhuiyan、Jyoti Seth、Naoya Yoshida、Atsuhiro Osuka、David F. Bocian

  DOI：10.1021/jp000306s

  日期：2000.11.1

  dimeric, trimeric, and tetrameric porphyrin arrays in which the porphyrins are directly linked at the meso position. The RR spectra of two monomeric building blocks of the arrays are also examined. The close proximity and orthogonal orientation of adjacent porphyrins in the arrays result in exceptionally strong excitonic interactions along the axis defined by the meso,meso-linkage(s) and negligible interactions

  报告了二聚体、三聚体和四聚体卟啉阵列的共振拉曼 (RR) 光谱，其中卟啉在中间位置直接连接。还检查了阵列的两个单体构建块的 RR 光谱。阵列中相邻卟啉的紧密接近和正交取向导致沿由中观、中观连接定义的轴异常强的激子相互作用和沿正交轴的可忽略不计的相互作用。耦合方案打破了 B 激发态的简并并导致两个 B(0,0) 吸收特征。一个称为 BX(0,0) 的特征是由于激子耦合而发生强烈红移的超分子吸收。另一个特征，指定为 By(0,0)，是正交的单个卟啉吸收的叠加。由于不存在激子相互作用，后一种吸收发生在与单体卟啉的 B(0,0) 带大致相同的能量下。Q s 中的激子耦合...
• Completely Regioselective Synthesis of Directly Linkedmeso,meso andmeso,β Porphyrin Dimers by One-Pot Electrochemical Oxidation of Metalloporphyrins
  作者：Takuji Ogawa、Yoshihiro Nishimoto、Naoya Yoshida、Noboru Ono、Atsuhiro Osuka

  DOI：10.1002/(sici)1521-3773(19990115)38:1/2<176::aid-anie176>3.0.co;2-a

  日期：1999.1.15
• 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.
• Alternatively Connected Corrole‐Porphyrin Multimetallic Complexes: Synthesis, Structure, and Properties
  作者：Harpal、Muthuchamy Murugavel、Jyoti Rai、Piyush Panini、R. V. Ramana Reddy、Parikshit Thakur、Jeyaraman Sankar

  DOI：10.1002/ejic.202400126

  日期：2024.7.10

  Synthetic multimetallic porphyrinoids are potential candidates in catalysis, molecular magnetism and as modern optoelectronic materials. Introducing electronic heterogenicity in these multi‐porphyrinoids shall bring in novel electronic and redox characteristics. In this direction, herein we report four discrete Corrole‐Porphyrin‐Corrole C[10]•P[5,15]•C[10] hybrids that have both corrole and porphyrin units covalently connected together. Metal ions in diverse oxidation states have been incorporated into respective cores to achieve homo and heterotrinuclear metal complexes. Selective metalation at the porphyrin and corrole cores was achieved by step‐wise insertion of Zn(II)/Cu(II), Zn(II)/Ga(III) and Cu(II)/Cu(II) ions to suit the dianionic and trianionic pockets, respectively. Single crystal X‐ray diffraction studies reveal the solid‐state structural evidence for both homo‐, and hetero‐trinuclear metal complexes. The Zn(II) and Ga(III) moieties have two distinct geometries in the molecular assembly. The geometry of Zn(II) at the porphyrin core is a perfect square planar, whereas the Ga(III) geometry at the corrole is square pyramidal with pyridine as an axial ligand. In case of homotrinuclear Cu(II) complex, the Cu(II) ions adopt square planar geometry irrespective of the core. Similar to all porphyrin trimers, C[10]•P[5,15]•C[10] trimers exhibit significant excitonic coupling between corrole and porphyrin units in the absorption spectra.