4,4'-(((((1,3-phenylenebis(methylene))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(oxy))dibenzaldehyde | 683248-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,4'-(((((1,3-phenylenebis(methylene))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(oxy))dibenzaldehyde
• CAS: 683248-56-8
• 化学式: C₃₆H₃₀O₆
• 分子量: 558.631
• InChiKey: IKCLZOBGJWGWBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.63
• 重原子数：
  42.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-(((((1,3-phenylenebis(methylene))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(oxy))dibenzaldehyde 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以30%的产率得到(8Z)-3,14,20,28-tetraoxahexacyclo[27.2.2.24,7.210,13.216,19.122,26]tetraconta-1(32),4,6,8,10,12,16(36),17,19(35),22,24,26(34),29(33),30,37,39-hexadecaene
  参考文献：
  名称：

  Dioxastilbenophanes—synthesis and charge transfer complexation studies

  摘要：

  Intramolecular McMurry coupling of dialdehydes derived from xylenyl dibromide and 4-hydroxy benzaldehyde afforded cis-stilbenophanes along with cyclophane diols. Stilbenophanes with a large cavity were also synthesized. Charge transfer complexations of the stilbenophanes with TCNE, TCNQ and PQT were studied. Some stilbenophanes form a relatively stronger complex with PQT rather than with TCNE and TCNQ. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2004.01.008
• 作为产物：
  描述：

  4,4'-((1,3-phenylenebis(methylene))bis(oxy))dibenzaldehyde 在 sodium tetrahydroborate 、 三溴化磷 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 66.0h， 生成 4,4'-(((((1,3-phenylenebis(methylene))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(oxy))dibenzaldehyde
  参考文献：
  名称：

  Dioxastilbenophanes—synthesis and charge transfer complexation studies

  摘要：

  Intramolecular McMurry coupling of dialdehydes derived from xylenyl dibromide and 4-hydroxy benzaldehyde afforded cis-stilbenophanes along with cyclophane diols. Stilbenophanes with a large cavity were also synthesized. Charge transfer complexations of the stilbenophanes with TCNE, TCNQ and PQT were studied. Some stilbenophanes form a relatively stronger complex with PQT rather than with TCNE and TCNQ. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2004.01.008