2,2-bis<4-(3-formylbenzyloxy)phenyl>propane | 138117-08-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-bis<4-(3-formylbenzyloxy)phenyl>propane
• 英文别名: 2,2-bis[4-(3-formylbenzyloxy)phenyl]propane
• CAS: 138117-08-5
• 化学式: C₃₁H₂₈O₄
• 分子量: 464.561
• InChiKey: RGXQAIUWFCZVQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  吡咯 、 2,2-bis<4-(3-formylbenzyloxy)phenyl>propane 在 四氯苯醌 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Self-assembly of molecular devices containing a ferrocene, a porphyrin and a quinone in a triple macrocyclic architecture

  摘要：

  卟啉原自组装与结构多样的元链二甲醛结构单元兼容，可在温和的条件下快速获得具有氧化还原活性单元的三维结构卟啉。

  DOI：

  10.1039/c39910001463
• 作为产物：
  描述：

  2,2'-((((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(methylene))bis(3,1-phenylene))bis(5,5-dimethyl-1,3-dioxane) 在 水 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以86%的产率得到2,2-bis<4-(3-formylbenzyloxy)phenyl>propane
  参考文献：
  名称：

  Investigation of the one-flask synthesis of porphyrins bearing meso-linked straps of variable length, rigidity, and redox activity

  摘要：

  The reactions of 18 dialdehydes have been examined in the two-step one-flask room temperature porphyrin synthesis. Efficient alkylation methods were established for the reaction of diols and diacids with m-bromomethylbenzaldehyde Dialdehydes linked at the o,o'- or m,m'-positions were converted to strapped porphyrins in yields up to 25%, while the one p,p'-linked dialdehyde that was examined failed to give porphyrin. The resulting porphyrins bear straps joining adjacent meso-positions rather than across the face of the porphyrin. Dialdehydes incorporating rigid groups provided improved yields in some but not all cases. The yield of strapped porphyrin exhibited a maximum at 10(-2) M reactant concentrations. The o,o'-strapped porphyrins exist as atropisomers thai are sufficiently stable to interconversion at room temperature to be separable chromatographically. No atropisomers of m,m'-strapped porphyrins could be separated, though some could be observed by H-1 NMR spectroscopy. For two different m,m'-strapped porphyrins, the Delta G double dagger values for interconversion of the atropisomers were found to be 66 and 68 kJ/mol. The outer rings in these strapped porphyrins range in size from 14 to 24 atoms. Five porphyrins with bridging redox-active groups (ferrocene or anthraquinone) have been prepared in one-flask reactions, including a porphyrin bearing one ferrocene and one anthraquinone in straps across adjacent meta-substituted phenyl sites. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00327-x