| 1360933-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1360933-39-6
• 化学式: C₅₁H₃₄N₆OZn
• 分子量: 812.261
• InChiKey: JDTLBUFDDWVQJK-RYKZPZDGSA-M

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

• 作为产物：
  描述：

  5-(2'-nitrophenyl)-10,15,20-triphenylporphyrin 在 zinc diacetate 、 tin(ll) chloride 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Enhanced Shape-Selective Recognition of Anion Guests through Complexation-Induced Organization of Porphyrin Hosts

  摘要：

  We present a fortuitous discovery of enhanced shape-selective recognition of anion guests that stems from a complexation-induced conformational change in porphyrin hosts upon anion binding. Porphyrin hosts reported here exist in a conformation that is not favorable to guest binding. Anions that bind strongly are those that can induce a conformational change in the host to allow guest binding. Furthermore, guests that mimic the shape of the newly formed pocket bind the strongest.

  DOI：

  10.1021/ol203249x

文献信息

• Influence of meso-linker attachment on the formation of core···π interactions in urea-functionalized porphyrins
  作者：Keith J. Flanagan、Aoife A. Ryan、Brendan Twamley、Mathias O. Senge

  DOI：10.1515/znb-2020-0099

  日期：2020.9.25

  The ability to cover the face of a porphyrin macrocycle selectively is an attractive feature for concepts such as catalysis and anion binding that is reliant on porphyrin core interactions. Herein, we have synthesized a family of mono-urea functionalized porphyrin complexes with intent to investigate their potential to form core···π interactions selectively to one face of the porphyrin macrocycle. By altering the distance between the urea moiety and the porphyrin through direct linkage or introducing a linker group we can control the formation of the core interactions. This is clearly seen in the crystal structure of 1-phenyl-3-(2-([10,15,20-triphenylporphyrinato]zinc(II)-5-yl)phenyl)urea where a unique face capping effect is demonstrated. In the crystal of this complex, there is a hydrogen-bonding network between the urea group and the axial methanol ligand forming head-to-tail aggregates with the Zn–O axis all molecules pointing in one direction.

  摘要：覆盖卟啉大环的面部是一个吸引人的特征，特别是对于依赖于卟啉核相互作用的概念，如催化和阴离子结合。在这里，我们合成了一系列单脲基功能化卟啉络合物，旨在研究它们形成核···π相互作用的潜力，以选择性地作用于卟啉大环的一个面。通过改变脲基团与卟啉之间的距离，可以通过直接连接或引入连接基团来控制核相互作用的形成。这在1-苯基-3-(2-([10,15,20-三苯基卟啉酸锌(II)-5-基]苯基)脲)的晶体结构中清晰可见，其中展示了独特的面部封顶效应。在该络合物的晶体中，脲基团与轴向甲醇配体之间形成氢键网络，形成头对尾聚集体，其中所有分子指向同一方向的Zn-O轴。