copper methyl mesopyropheophorbide-a | 96806-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: copper methyl mesopyropheophorbide-a
• 英文别名: copper(II) methyl mesopyropheophorbide a；O-methyl-mesopyropheophorbide a-copper complex
• CAS: 96806-58-5
• 化学式: C₃₄H₃₆CuN₄O₃
• 分子量: 612.231
• InChiKey: FHXVALKXHNYOFD-COBSGTNCSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.67
• 重原子数：
  42.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  97.35
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  溴化氰 、 copper methyl mesopyropheophorbide-a 在 四氯化锡 、 potassium carbonate 作用下， 以 氯仿 为溶剂， 反应 8.0h， 以49%的产率得到methyl δ-meso-cyanomesopheophorbide
  参考文献：
  名称：

  The meso substitution of chlorophyll derivatives: direct route for transformation of bacteriopheophorbides d into bacteriopheophorbides c.

  摘要：

  DOI：

  10.1021/ja00303a021
• 作为产物：
  描述：

  methyl mesopyropheophorbide a 在 copper(II) acetate monohydrate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 copper methyl mesopyropheophorbide-a
  参考文献：
  名称：

  Synthesis and optical properties of C3-ethynylated chlorin and π-extended chlorophyll dyads

  摘要：

  A C3-ethynylated chlorophyll derivative was prepared from methyl pyropheophorbide-d possessing a 3-formyl group by treatment of Bestmann-Ohira reagent. The mono-substituted acetylene was subjected to coupling reactions at the terminal acetylenic carbon atom to form a series of pi-extended chlorophyll derivatives. Replacement of the terminal hydrogen to phenyl, phenylethynyl and C3-chlorin-ethynyl caused red-shifts of their Q(y) (0,0) maxima from 675 to 679, 686, and 696 nm, respectively. Optical properties of C3(2)-substituted 3-ethynyl-chlorophyll derivatives including chlorophyll dyads were investigated in comparison with those of their related compounds. Partial quenching of the fluorescence emission (Phi(fiu)=0.14) was observed for ortho-substituted dyad, compared to meta-(Phi=0.27) and para-dyads (Phi=0.29), suggesting a through-space interaction between the two chlorin macrocycles in a molecule. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.020

文献信息

• Effect of perfluorination at the 3-ethyl group in chlorophyll-a derivatives on physical properties in solution
  作者：Suzuka Nishibori、Nobuyuki Hara、Hitoshi Tamiaki

  DOI：10.1016/j.jfluchem.2024.110261

  日期：2024.2

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