1,3,5-tri(2'-formylbenzyl)benzene | 918138-11-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3,5-tri(2'-formylbenzyl)benzene
• 英文别名: 1,3,5-tri(2'-formylphenylmethyl)benzene；2-[[3,5-Bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
• CAS: 918138-11-1
• 化学式: C₃₀H₂₄O₃
• 分子量: 432.519
• InChiKey: LNIXCGWZEDSTKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-tri(2'-formylbenzyl)benzene 在 sodium dihydrogenphosphate 作用下， 以 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 反应 4.0h， 以90%的产率得到1,3,5-tri(2'-carboxyphenylmethyl)benzene
  参考文献：
  名称：

  通过杯[6]芳烃基受体的离子相互作用进行自组装，对中性客体显示出显着的宿主-客体特性

  摘要：

  通过1 H NMR光谱研究了C 3 v对称杯[6]三胺与各种柔性程度的不同凹型三羧酸的缔合。在所有情况下，均获得了通过选择性包含中性客体分子而产生的自组装结构，其中越有组织的结构在质子溶剂中就越稳定。使用刚性的C 3不对称帽，可以在杯芳烃腔中获得手性客体识别。一个大的tris-酸性伙伴提供了一个独特的分子双位受体，该受体能够以不同的结合过程同时容纳两个不同疏水腔中的两个中性分子。

  DOI：

  10.1016/j.tet.2007.06.122
• 作为产物：
  描述：

  1,3,5-三(溴甲基)苯 、 2-甲酰基苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以44%的产率得到1,3,5-tri(2'-formylbenzyl)benzene
  参考文献：
  名称：

  Efficient Synthesis and Host−Guest Properties of a New Class of Calix[6]azacryptands

  摘要：

  [GRAPHICS]Two members of a new class of calix[6]azacryptands, namely, calix[6]tampo and calix[6]tamb, have been synthesized through an efficient [1+1] macrocyclization reactionreduction sequence. One of them has been obtained in a remarkably high overall yield from the known X6H3Me3. In comparison to all the other calix[6] azacryptands, they possess unique conformational properties since they present a rigidified cone conformation with a partial filling of the cavity by the methoxy groups. In contrast to calix[6] tampo, the fully protonated derivative of calix[6] tamb behaves as a remarkable molecular receptor toward polar neutral guests. NMR studies have shown that the intracavity binding process is governed by a conformational flip of the aromatic walls of the calixarene core.

  DOI：

  10.1021/jo061616v

文献信息

• Capped Subporphyrins
  作者：Yasuhide Inokuma、Atsuhiro Osuka

  DOI：10.1002/chem.200900879

  日期：2009.7.13

  Capped subporphyrins 12–16 with C3 molecular symmetry were synthesized from 5,10,15‐tri(3‐aminophenyl)‐substituted subporphyrin 8 and tripodal trialdehydes 2–6 by Lindsey’s entropically favored macrocyclization. X‐ray diffraction analysis has revealed that the concave surface of the subporphyrin core is selectively capped with a 1,3,5‐substituted benzene moiety. Capped subporphyrins 15 and 16, with

  封端subporphyrins 12 - 16与Ç 3分子的对称性从5,10,15-三（3-氨基苯基）合成取代的subporphyrin 8和三足三醛2 - 6由林赛的熵青睐大环化。X射线衍射分析表明，亚卟啉核的凹面被1,3,5-取代的苯部分选择性覆盖。带有五原子臂的加帽的亚卟啉15和16，因此具有较大的内腔，在其晶体结构中表现出溶剂掺入行为。另一方面，亚卟啉12和13表现出紧密的结构，其中帽和亚卟啉核心更接近，平均平面间距分别为3.56和3.15Å。变温1个1 H NMR测量结果表明，subporphyrins 12，13，和16经历之间螺旋互变P和中号取决于臂长形式和帽的电子性质。其中，亚卟啉13带有被三个原子臂束缚的1,3,5-三（烷氧基羰基）苯帽，其螺旋转变非常缓慢，且焓变大，ΔH ≠ = 76.4 kJ mol -1以及类似Soret波段的特征性红移和Q（0,0）波段的增强。这些
• Efficient Synthesis and Host−Guest Properties of a New Class of Calix[6]azacryptands
  作者：Stéphane Le Gac、Xianshun Zeng、Camille Girardot、Ivan Jabin

  DOI：10.1021/jo061616v

  日期：2006.11.1

  [GRAPHICS]Two members of a new class of calix[6]azacryptands, namely, calix[6]tampo and calix[6]tamb, have been synthesized through an efficient [1+1] macrocyclization reactionreduction sequence. One of them has been obtained in a remarkably high overall yield from the known X6H3Me3. In comparison to all the other calix[6] azacryptands, they possess unique conformational properties since they present a rigidified cone conformation with a partial filling of the cavity by the methoxy groups. In contrast to calix[6] tampo, the fully protonated derivative of calix[6] tamb behaves as a remarkable molecular receptor toward polar neutral guests. NMR studies have shown that the intracavity binding process is governed by a conformational flip of the aromatic walls of the calixarene core.
• Self-assembly via ionic interactions of calix[6]arene-based receptors displaying remarkable host–guest properties toward neutral guests
  作者：Stéphane Le Gac、Michel Luhmer、Olivia Reinaud、Ivan Jabin

  DOI：10.1016/j.tet.2007.06.122

  日期：2007.10

  directed by the selective inclusion of a neutral guest molecule were obtained, the more preorganized being stable in protic solvents. With a rigid C3-symmetrical cap, chiral guest recognition in the calixarene cavity resulted. A large tris-acidic partner gave a unique molecular ditopic receptor that is able to simultaneously accommodate two neutral molecules in two distinct hydrophobic cavities with different

  通过1 H NMR光谱研究了C 3 v对称杯[6]三胺与各种柔性程度的不同凹型三羧酸的缔合。在所有情况下，均获得了通过选择性包含中性客体分子而产生的自组装结构，其中越有组织的结构在质子溶剂中就越稳定。使用刚性的C 3不对称帽，可以在杯芳烃腔中获得手性客体识别。一个大的tris-酸性伙伴提供了一个独特的分子双位受体，该受体能够以不同的结合过程同时容纳两个不同疏水腔中的两个中性分子。