4-triphenylmethylphenylisocyanate | 272113-40-3

• 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-triphenylmethylphenylisocyanate
• 英文别名: 4-Tritylphenyl isocyanate；1-isocyanato-4-tritylbenzene
• CAS: 272113-40-3
• 化学式: C₂₆H₁₉NO
• 分子量: 361.443
• InChiKey: RXWIBHOVVZUJJW-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C
• 沸点：
  476.0±24.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-triphenylmethylphenylisocyanate 在 potassium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 5.0h， 生成 4-(4-tritylphenyl)-1,2,4-triazolidine-3,5-dione
  参考文献：
  名称：

  One-pot and novel route for the synthesis of 4-substituted-1,2,4-triazolidine-3,5-diones

  摘要：

  The efficient and one-pot synthesis of 4-substituted-1,2,4-triazolidin-3,5-dione derivatives (4-substituted urazoles) via combination of triphosgene, substituted anilines, and ethyl carbazate in the presence of cesium carbonate is presented. (C) 2013 Arash Ghorbani-Choghamarani. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.020
• 作为产物：
  描述：

  光气 、 4-tritylaniline hydrochloride 在 甲苯 作用下， 生成 4-triphenylmethylphenylisocyanate
  参考文献：
  名称：

  对-三苯基甲基苯基和2-芴基异氰酸酯用作醇的试剂。

  摘要：

  DOI：

  10.1021/ja01202a066

文献信息

• Helic[1]triptycene[3]arene: Synthesis, Complexation, and Formation of [2]Rotaxane Shuttle
  作者：Jing Li、Xiao-Ni Han、He-Ye Zhou、Ying Han、Chuan-Feng Chen

  DOI：10.1021/acs.joc.0c01558

  日期：2020.9.4

  with secondary ammonium salts than those with tertiary ammonium salts possibly because of the steric hindrance effect and multiple intermolecular interactions. The stimuli-responsive complexation between H and the ammonium salts could be controlled by the addition and removal of acids and bases as well. Based on the host–guest complexation between H and the secondary ammonium salt, [2]rotaxane was further

  通过从2，6-二甲氧基-1，3，7-二羟基甲基三茂苯开始的一锅反应，以37％的收率方便地合成了一种新的大环芳烃，螺旋[1]三茂[3]芳烃H。大环H在溶液中显示出固定的构象，并可以与一系列中性客体，仲铵盐和叔铵盐在溶液和固态下形成1：1的络合物。H和中性客体之间的缔合常数在（1.23±0.10）×10 2和（4.70±0.47）×10 3 M –1之间，而H和铵客体之间的缔合常数在（1.35±0.12）× 10 3和（1.59±0.14）×10 5M –1。此外，H显示出与仲铵盐相比具有比叔铵盐更大的缔合常数，这可能是由于空间位阻效应和多种分子间相互作用。H和铵盐之间的刺激响应络合物也可以通过添加和去除酸和碱来控制。基于H和仲铵盐之间的主客体络合作用，进一步合成了[2]轮烷，其穿梭运动可以通过酸和碱有效控制。
• Efficient control of movement in non-photoresponsive molecular machines by a photo-induced proton-transfer strategy
  作者：Qiang Shi、Zheng Meng、Jun-Feng Xiang、Chuan-Feng Chen

  DOI：10.1039/c8cc01570h

  日期：——

  The movement of three pairs of different non-photoresponsive rotaxanes can be efficiently controlled by visible light through a photo-induced proton-transfer (PIPT) strategy in the presence of the photoacid 1-MEH. Moreover, the PIPT strategy also provides systems with a good fatigue resistance after more than 50 cycles.

  在存在光酸1-MEH的情况下，可见光通过光诱导质子转移（PIPT）策略可以有效地控制三对不同的非光响应轮烷的运动。此外，PIPT策略还可为系统提供超过50个循环后的良好抗疲劳性。
• Complexation Between (<i>O</i> -Methyl)₆ -2,6-Helic[6]arene and Tertiary Ammonium Salts: Acid/Base- or Chloride-Ion-Responsive Host-Guest Systems and Synthesis of [2]Rotaxane
  作者：Qiang Shi、Ying Han、Chuan-Feng Chen

  DOI：10.1002/asia.201700857

  日期：2017.10.5

  Complexation between (O‐methyl)6‐2,6‐helic[6]arene and a series of tertiary ammonium salts was described. It was found that the macrocycle could form stable complexes with the tested aromatic and aliphatic tertiary ammonium salts, which were evidenced by 1H NMR spectra, ESI mass spectra, and DFT calculations. In particular, the binding and release process of the guests in the complexes could be efficiently

  之间（络合ø -甲基）6 -2,6-螺旋面[6]芳烃，并描述了一系列的叔铵盐的。发现大环化合物可以与测试的芳族和脂族叔铵盐形成稳定的络合物，这通过1 H NMR光谱，ESI质谱和DFT计算得到证明。特别是，客体在结合物中的结合和释放过程可以通过酸/碱或氯离子有效控制，这代表了首个基于大环芳烃和质子化的酸/碱和氯离子响应的宿主-客体系统叔铵盐。此外，首个2,6-螺旋[6]芳烃基的[2]轮烷也是由主体-客体络合物与异氰酸酯之间的缩合反应合成的。
• Threading of an Inherently Directional Calixarene Wheel with Oriented Ammonium Axles
  作者：Pellegrino La Manna、Carmen Talotta、Carmine Gaeta、Annunziata Soriente、Margherita De Rosa、Placido Neri

  DOI：10.1021/acs.joc.7b01388

  日期：2017.9.1

  rule. Interestingly, by 1H NMR monitoring of the threading process between 8+ and 3, we revealed two calix[2]pseudorotaxane isomers in which the calix-wheel adopts 1,2,3-alternate and cone conformations, which represent the kinetic and thermodynamic species, respectively. Finally, the synthesis of ammonium-based oriented calix[2]rotaxane is here described.

  单终止烷基苄基铵轴7 +和8 +与杯[6]轮3的螺纹连接可通过进入圆锥形构型的大环3的两种途径进行：通过上轮缘和通过下轮缘。因此，在热力学条件下，对于轴7 +和8 +而言，杯[2]假轮烷的两个可能的取向，即内-苄基和内-烷基，是通过内-烷基规则控制的立体选择性形成的。有趣的是，通过1 H NMR监测之间的穿线过​​程8 +和3，我们揭示了两个杯[2]假轮烷异构体，其中杯轮采用1,2,3-交替和圆锥构象，分别代表动力学和热力学物种。最后，在此描述了基于铵的取向杯[2]轮烷的合成。
• Fixed or Invertible Calixarene-Based Directional Shuttles
  作者：Teresa Pierro、Carmine Gaeta、Carmen Talotta、Agostino Casapullo、Placido Neri

  DOI：10.1021/ol200753c

  日期：2011.5.20

  on calixarenes threaded by dialkylammonium ions, which also represent the first examples of calixarene-based molecular shuttles, are reported. The base/acid treatment demonstrated that these systems act as molecular shuttles, which move between three sites on the axle. When small OMe groups are appended at the calix[6]arene lower rim an unprecedented inversion of its shuttling direction is observed,

  据报道，基于杯芳烃被二烷基铵离子穿线的轮烷的第一实例，其也代表基于杯芳烃的分子穿梭的第一实例。碱/酸处理表明，这些系统充当分子梭，在轴上的三个位置之间移动。当较小的OMe基团附加在杯[6] arene下缘上时，观察到其穿梭方向发生了空前的反转，这是通过大环的圆锥到圆锥反转而发生的。