5,10,15,20-tetrakis[3-(S-acetylthiomethyl)phenyl]porphyrin | 251989-69-2

• 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: 5,10,15,20-tetrakis[3-(S-acetylthiomethyl)phenyl]porphyrin
• CAS: 251989-69-2
• 化学式: C₅₆H₄₆N₄O₄S₄
• 分子量: 967.27
• InChiKey: OFTONFZGJKWRCK-QXOYQVNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.44
• 重原子数：
  68.0
• 可旋转键数：
  12.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  125.64
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  5,10,15,20-tetrakis[3-(S-acetylthiomethyl)phenyl]porphyrin 在 manganese(II) chloride tetrahydrate 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 生成 [SAc]4P-Mn(III)Cl
  参考文献：
  名称：

  Deprotection, Tethering, and Activation of a Catalytically Active Metalloporphyrin to a Chemically Active Metal Surface: [SAc]₄P−Mn(III)Cl on Ag(100)

  摘要：

  The adsorption and subsequent thermal chemistry of the acetyl-protected manganese porphyrin, [SA(C)](4)P-Mn(III)Cl on Ag(100) have been studied by high resolution XPS and temperature-programmed desorption. The deprotection event, leading to formation of the covalently bound thioporphyrin, has been characterized and the conditions necessary for removal of the axial chlorine ligand have been determined, thus establishing a methodology for creating tethered activated species that could serve as catalytic sites for delicate oxidation reactions. Surface-mediated acetyl deprotection occurs at 298 K, at which temperature porphyrin diffusion is limited. At temperatures above similar to 425 K porphyrin desorption, diffusion and deprotection occur and at >470 K the axial chlorine is removed.

  DOI：

  10.1021/ja8076389