zinc;5-[(E)-[(5E)-5-[[(5E)-5-[[5-(dimethylamino)-3,4-diethylpyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]-3,4-diethylpyrrol-2-one | 251568-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: zinc;5-[(E)-[(5E)-5-[[(5E)-5-[[5-(dimethylamino)-3,4-diethylpyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]-3,4-diethylpyrrol-2-one
• CAS: 251568-04-4
• 化学式: C₃₇H₄₉N₅OZn
• 分子量: 645.219
• InChiKey: DOAWOUXUWYIWDH-UHFFFAOYSA-M

计算性质

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

• 作为产物：
  描述：

  [Zn(octaethyl-5-oxaporphyrinate)](O2CCH3) 、 二甲胺 在 Na 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以8%的产率得到zinc;5-[(E)-[(5E)-5-[[(5E)-5-[[5-(dimethylamino)-3,4-diethylpyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]-3,4-diethylpyrrol-2-one
  参考文献：
  名称：

  Reactivity of the Verdoheme Analogues. Opening of the Planar Macrocycle by Amide and Thiolate Nucleophiles To Form Helical Complexes

  摘要：

  The 5-oxaporphyrin macrocycle is a modified porphyrin that has an oxygen atom in place of one meso-methine group. These 5-oxaporphyrins are readily produced from heme degradation by both chemical and biological processes. Treatment of metal complexes of 5-oxaporphyrins with nucleophiles can lead to reactions either at the metal or on the ligand. Here we report that the diamagnetic zinc(II) verdoheme analogue [Zn-II(OEOP)](O2CCH3) {OEOP is the monoanion of octaethyl-5-oxaporphyrin} reacts with dimethylamide and with methanethiolate to form ring-opened products Zn-II(OEBNMe2) and Zn-II(OEBSMe). The ring-opened products have been subjected to crystallographic study. In both complexes the helical tetrapyrrole ligand imposes a structure in which the zinc ion is trapped between planar and tetrahedral coordination. The structures of these two complexes are compared with that of Zn-II(OEBOMe), which has a similar helical shape.

  DOI：

  10.1021/ic9904283