nickel(II) 2,3,7,8,12,13,17,18-octaethyl-2,3-secochlorin-2,3-dione | 156279-53-7

• 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: nickel(II) 2,3,7,8,12,13,17,18-octaethyl-2,3-secochlorin-2,3-dione
• 英文别名: 1-(4,5,9,10,18,19-Hexaethyl-15-propanoyl-14,22-diaza-20,21-diazanidatetracyclo[15.2.1.13,6.18,11]docosa-1,3(22),4,6,8,10,12,14,16,18-decaen-13-yl)propan-1-one;nickel(2+)
• CAS: 156279-53-7
• 化学式: C₃₆H₄₄N₄NiO₂
• 分子量: 623.461
• InChiKey: QEJSXZZNRVIPDP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.42
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  nickel(II) 2,3,7,8,12,13,17,18-octaethyl-2,3-secochlorin-2,3-dione 在 K tert-butoxide or primary aliphatic amines 作用下， 以 not given 为溶剂， 生成 nickel(II) 3,7,8,12,13,17,18-heptaethyl-2a-methyl-2a-homoporphyrin-2-one
  参考文献：
  名称：

  The 2,3-secochlorin-2,3-dione system

  摘要：

  Cleavage of nickel(II) octaethyl-2,3-dihydroxychlorin 3 with lead tetraacetate gives the novel octaethyl-2,3-secochlorin-2,3-dione system as its nickel(II) complex 4, which on treatment with basecyclisesto a novel homoporphyrinone structure 5; electronic spectra are presented: 4 and 5 are seen as representing chromophores that may arise in chlorophyll catabolism.

  DOI：

  10.1039/c39930001860
• 作为产物：
  描述：

  在 lead(IV) acetate 作用下， 以 苯 为溶剂， 以76%的产率得到nickel(II) 2,3,7,8,12,13,17,18-octaethyl-2,3-secochlorin-2,3-dione
  参考文献：
  名称：

  The 2,3-secochlorin-2,3-dione system

  摘要：

  Cleavage of nickel(II) octaethyl-2,3-dihydroxychlorin 3 with lead tetraacetate gives the novel octaethyl-2,3-secochlorin-2,3-dione system as its nickel(II) complex 4, which on treatment with basecyclisesto a novel homoporphyrinone structure 5; electronic spectra are presented: 4 and 5 are seen as representing chromophores that may arise in chlorophyll catabolism.

  DOI：

  10.1039/c39930001860