4,7-dihexyl-3,8-dichloro-1,10-phenanthroline | 1001157-60-3

• 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: 4,7-dihexyl-3,8-dichloro-1,10-phenanthroline
• 英文别名: 4,7-Dihexyl-3,8-dichlorophenanthroline；3,8-dichloro-4,7-dihexyl-1,10-phenanthroline
• CAS: 1001157-60-3
• 化学式: C₂₄H₃₀Cl₂N₂
• 分子量: 417.422
• InChiKey: CWDWECRICWBYGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  iron perchlorate hexahydrate 、 4,7-dihexyl-3,8-dichloro-1,10-phenanthroline 以 二氯甲烷 、 乙腈 为溶剂， 以50%的产率得到[Fe2O(Cl2He2phen)4(H2O)2][ClO4]4*3H2O
  参考文献：
  名称：

  New phenanthroline iron complexes: Synthesis and catalytic activity in alkane oxidation with hydrogen peroxide

  摘要：

  New binuclear iron complexes with labile coordination sites, [Fe2OL4(H2O)(2)](ClO4)(4) where L stands for hydrophobic phenanthroline (phen) bearing electronegative and lipophilic substituents (Cl, Br, C2H5, C6H5, C6H13), are synthesized. The stereospecificity, alcohol/ketone ratio, regioselectivity, and substituent effect in the hydroxylation of alkanes (cyclohexane, adamantane, cis-1,2-dimethylcyclohexane) with hydrogen peroxide catalyzed by these complexes are studied. The said parameters, as well as a decrease in the alkane oxidation regioselectivity with increasing hydrogen peroxide concentration, are similar to the respective parameters for mononuclear iron complexes of tetradentate ligands. The results confirm that regardless of the nature of chelating ligands, the same mechanism operates in both cases, namely, the transfer of an oxygen atom with the participation of ferryl intermediates.

  DOI：

  10.1134/s0036023607010159