[4-[[(3,5-Dimethylphenyl)methyl-methylamino]methyl]phenyl]methyl 3,5-dimethylbenzoate | 1018363-69-3

• 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: [4-[[(3,5-Dimethylphenyl)methyl-methylamino]methyl]phenyl]methyl 3,5-dimethylbenzoate
• 英文别名: [4-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]phenyl]methyl 3,5-dimethylbenzoate
• CAS: 1018363-69-3
• 化学式: C₂₇H₃₁NO₂
• 分子量: 401.549
• InChiKey: DXLQLIRZWLRALB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [4-[[(3,5-Dimethylphenyl)methyl-methylamino]methyl]phenyl]methyl 3,5-dimethylbenzoate 、 三氯乙酸 以 氯仿 为溶剂， 以0.2 g的产率得到
  参考文献：
  名称：

  Thermoresponsive Shuttling of Rotaxane Containing Trichloroacetate Ion

  摘要：

  A thermoresponsive rotaxane shuttling system was developed with a trichloroacetate counteranion of an ammonium/crown ether-type rotaxane. Chemoselective thermal decomposition of the ammonium trichloroacetate moiety on the rotaxane yielded the corresponding nonionic rotaxane accompanied by a positional change of the crown ether on the axle. The rotaxane skeleton facilitated effective dissociation of the acid, markedly lowering the thermal decomposition temperature.

  DOI：

  10.1021/ol301771w
• 作为产物：
  描述：

  生成 [4-[[(3,5-Dimethylphenyl)methyl-methylamino]methyl]phenyl]methyl 3,5-dimethylbenzoate
  参考文献：
  名称：

  Thermoresponsive Shuttling of Rotaxane Containing Trichloroacetate Ion

  摘要：

  A thermoresponsive rotaxane shuttling system was developed with a trichloroacetate counteranion of an ammonium/crown ether-type rotaxane. Chemoselective thermal decomposition of the ammonium trichloroacetate moiety on the rotaxane yielded the corresponding nonionic rotaxane accompanied by a positional change of the crown ether on the axle. The rotaxane skeleton facilitated effective dissociation of the acid, markedly lowering the thermal decomposition temperature.

  DOI：

  10.1021/ol301771w

文献信息

• Thermoresponsive Shuttling of Rotaxane Containing Trichloroacetate Ion
  作者：Yoko Abe、Hisashi Okamura、Kazuko Nakazono、Yasuhito Koyama、Satoshi Uchida、Toshikazu Takata

  DOI：10.1021/ol301771w

  日期：2012.8.17

  A thermoresponsive rotaxane shuttling system was developed with a trichloroacetate counteranion of an ammonium/crown ether-type rotaxane. Chemoselective thermal decomposition of the ammonium trichloroacetate moiety on the rotaxane yielded the corresponding nonionic rotaxane accompanied by a positional change of the crown ether on the axle. The rotaxane skeleton facilitated effective dissociation of the acid, markedly lowering the thermal decomposition temperature.