[2,3,7,8-tetrakis[(4-butyloxycarbonylbenzyl)thio]-12,13,17,18-dibenzoporphyrazinato]nickel(II) | 183559-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: [2,3,7,8-tetrakis[(4-butyloxycarbonylbenzyl)thio]-12,13,17,18-dibenzoporphyrazinato]nickel(II)
• CAS: 183559-98-0
• 化学式: C₇₂H₆₈N₈NiO₈S₄
• 分子量: 1360.33
• InChiKey: MRENYOBYNAQHQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  2,3,7,8-tetrakis[(4-butyloxycarbonylbenzyl)thio]-12,13,17,18-dibenzoporphyrazine 、 nickel diacetate 以 N,N-二甲基甲酰胺 、 氯苯 为溶剂， 生成 [2,3,7,8-tetrakis[(4-butyloxycarbonylbenzyl)thio]-12,13,17,18-dibenzoporphyrazinato]nickel(II)
  参考文献：
  名称：

  gemini-Porphyrazines:  The Synthesis and Characterization of Metal-Capped cis- and trans-Porphyrazine Tetrathiolates

  摘要：

  Peripherally-functionalized porphyrazines of the form M[pz(A(n):BS4-n)] (inset 1), where A and B symbolize functional moieties (e.g., a-d in Table 1) fused directly to the beta-positions of the pyrroles, have the potential to serve in a wide range of applications. Previously, we reported the synthesis of porphyrazinedi- and octathiolate ligands, M[pz(b(3):c(1))] and M[pz(c(4))], respectively, where b is a fused benzo ring and c represents two thiolates fused at the beta-pyrrole positions to form a dithiolene capable of the peripheral chelation of a metal ion. We describe here a general strategy that solves the more difficult problem of preparing and isolating the porphyrazinetetra- and hexathioethers and the porphyrazinetetra- and hexathiolates, with the focus being the trinuclear metal complexes of the trans- and cis-porphyrazinetetrathiolate isomers (trans- and cis-M[pz(b(2):d(2))]), denoted as gemini porphyrazines. Spectroscopic and electrochemical studies reveal that the physical properties of the cis- and trans-tetrathioether porphyrazines exhibit intriguing differences associated with their distinct molecular symmetries. These functionalized macrocycles have been used to prepare the trans- and cis-gemini porphyrazines 14 and 16, the two isomeric porphyrazinetetrathiolate macrocycles that are peripherally-metalated with two bis(triethylphosphine)platinum(II) moieties. The X-ray structure of the trans isomer, 14, is presented; it is the first structure of a porphyrazine or phthalocyanine having a trans-type substitution pattern.

  DOI：

  10.1021/ja961912x