acetato(N-methyloctaethylporphinato)zinc(II) | 882503-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: acetato(N-methyloctaethylporphinato)zinc(II)
• 英文别名: [(N-methyloctaethylporphine(-1H))Zn(OAc)]；[(AcO)Zn(N-Me)OEtP]
• CAS: 882503-32-4
• 化学式: C₃₉H₅₀N₄O₂Zn
• 分子量: 672.242
• InChiKey: AXJUPSMTJGXZJF-XERFPWBRSA-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

• 作为反应物：
  描述：

  acetato(N-methyloctaethylporphinato)zinc(II) 以 solid 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Stability of nonplanar N-methylporphyrins and their zinc complexes

  摘要：

  Resistance of N-methyl-substituted porphyrins and their Zn(II) complexes to thermooxidative degradation and to the action of a DMSO-AcOH proton-donor solvent was studied by thermogravimetry and chemical kinetics. The fairly low stability of the complexes is caused by decreased planarity and, as a consequence, aromaticity of the macrorings and also by the tendency of the complexes to demethylation. The stability of the zinc complexes in AcOH varies in parallel with the degree of nonplanarity and resistance to thermooxidative degradation of their ligands.

  DOI：

  10.1134/s1070363206030200
• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin 、 zinc diacetate 以 二甲基亚砜 为溶剂， 生成 acetato(N-methyloctaethylporphinato)zinc(II)
  参考文献：
  名称：

  Berezin; Mis'ko, Russian Journal of Inorganic Chemistry, 2003, vol. 48, # 9, p. 1354 - 1358

  摘要：

  DOI：

文献信息

• Effect of the type of molecular nonplanar structure on the chemical reactivity of NH bonds in the coordination center of porphyrin molecule
  作者：D. B. Berezin、O. V. Mal’tseva

  DOI：10.1134/s1070363209040276

  日期：2009.4

  Effect of out-of-plane screwing of the porphyrin macrocycle (H2P) by means of tetra-meso-substitution and intracyclic N-substitution on the state of NH bonds in the molecule is explored. By applying H-1 NMR, kinetic and quantum-chemical criteria of evaluation of the macrocycle NH-reactivity is found that such type of H2P screwing does not increase reactivity of the NH bonds. It is shown that increased chemical NH activity is observed only in the porphyrins undergoing at a significant conformational screwing possess the polarization of the molecular pi-system.
• ——
  作者：D. B. Berezin、N. V. Zharnikova、V. G. Andrianov、P. A. Shatunov、A. S. Semeikin

  DOI：10.1023/a:1015565132623

  日期：——

  The effect of peripheral substitution in the porphyrin macrocycle (H2OEtP, H2TPP) of the nature of the N-substituent (X = Me, Ph) and of the anion in the salt solvate (A = Ac-, NO3-, Acac(-)) on the complexation of the N-substituted porphyrins with zinc salts in DMSO is studied. The positions of the bands in the electronic absorption spectrum of the (A)M(N-X)P metal complex were found to depend only slightly on the nature of the A anion in the composition of the coordination sphere of the complex. An inhibition of coordination of the N-substituted H2TPP derivatives by zinc nitrate was discovered that is not typical of porphyrins proper. The type of hybridization of the substituted nitrogen atom in the porphyrin molecule is discussed. A mixed type of hybridization is suggested: the sp(2)- and p(3)-forms in the ligands and an almost complete transition to the p(3)-form in the N-substituted metal complexes.
• Effects of the ligand structure and electronic properties of the central atom on the kinetics of complex formation of N-methyloctaethylporphyrine with solvate complexes in binary solvents
  作者：D. B. Berezin、O. V. Toldina、B. D. Berezin

  DOI：10.1134/s1070363206100288

  日期：2006.10

  The reactivity of 3d-metal solvates [MX2(S)(4)] and [MX2(S-1)(m)(S-2)(4-m)] (where S, S-1, and S-2 are solvent molecules: pyridine, N,N-dimethylformamide, and dimethyl sulfoxide) toward porphyrins with different structures, N-methyloctaethylporphyrin and meso-tetraphenyltetrabenzoporphyrin, is discussed. A strong catalytic effect of solvents and ligands having pi orbitals was found and rationalized in terms of trans effect in the coordination sphere of solvate salts. A probable activation mechanism of the trans effect was proposed, and its magnitude was shown to strongly depend on the metal nature.