1,2-dicyano-4,5-bis(hexyloxy)benzene | 118132-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-dicyano-4,5-bis(hexyloxy)benzene
• 英文别名: 4,5-bis(hexyloxy)phthalonitrile；4,5-Dihexoxybenzene-1,2-dicarbonitrile
• CAS: 118132-10-8
• 化学式: C₂₀H₂₈N₂O₂
• 分子量: 328.455
• InChiKey: CTYCUMFWLVBLLP-UHFFFAOYSA-N

物化性质

• 沸点：
  483.2±45.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-dicyano-4,5-bis(hexyloxy)benzene 在 氨 、 sodium 作用下， 生成 5,6-Bis-hexyloxy-isoindole-1,3-diylidenediamine
  参考文献：
  名称：

  Sauer, Thomas; Wegner, Gerhard, Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 162, p. 97 - 118

  摘要：

  DOI：
• 作为产物：
  描述：

  邻苯二酚 在 溴 、 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 1,2-dicyano-4,5-bis(hexyloxy)benzene
  参考文献：
  名称：

  Sauer, Thomas; Wegner, Gerhard, Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 162, p. 97 - 118

  摘要：

  DOI：

文献信息

• Complementary Syntheses Giving Access to a Full Suite of Differentially Substituted Phthalocyanine‐Porphyrin Hybrids
  作者：Faeza Alkorbi、Alejandro Díaz‐Moscoso、Jacob Gretton、Isabelle Chambrier、Graham J. Tizzard、Simon J. Coles、David L. Hughes、Andrew N. Cammidge

  DOI：10.1002/anie.202016596

  日期：2021.3.29

  properties. The selective synthesis of unsymmetrical systems, particularly phthalocyanines, has remained a significant unmet challenge. Porphyrin‐phthalocyanine hybrids offer the potential to combine the favorable features of both parent structures, but again synthetic strategies are poorly developed. Here we demonstrate strategies that give straightforward, controlled access to differentially substituted

  酞菁和卟啉通常是广泛应用中选择的支架。合成技术的进步使得可以定制衍生物，定制其特性。不对称体系（特别是酞菁）的选择性合成仍然是一个尚未解决的重大挑战。卟啉-酞菁杂化物提供了结合两种母体结构的有利特征的潜力，但合成策略仍然缺乏开发。在这里，我们展示了通过芳基氨基异吲哚 (A) 引发剂和互补邻苯二甲腈 (B) 之间的反应，直接、受控地获得差异取代的内消旋芳基四苯并三氮杂卟啉的策略。前体和反应条件的选择允许选择性制备 1:3 Ar-ABBB 和独特的 2:2 Ar-ABBA 功能化杂化物。
• Soluble zinc phthalocyanines as chemical probes for Δ-9-tetrahydrocannabinol in different solvents
  作者：Laura Karlin、Halynne R. Lamontagne、Sumit Chaurasia、Michael Triglav、Cory S. Harris、Adam J. Shuhendler、Jaclyn L. Brusso、Benoît H. Lessard

  DOI：10.1142/s1088424624500081

  日期：2024.6

  The detection of Δ-9-tetrahydrocannabinol (THC) is important for several applications from agriculture and pharmaceuticals to law enforcement. Two novel soluble zinc phthalocyanines were synthesized and their interaction with THC was studied. We report the change in the electrochemical and spectroelectrochemical response of the two zinc derivatives in the presence of THC using different organic solvents (DCM, THF, and DMF). The greatest change in spectroelectrochemical response was found when DCM was employed, whereas when THF was used an increase in higher energy π−π∗ transitions within the Pc cores was observed. Using DMF on the other hand demonstrated little change in response. We also found that the functional group used to solubilize the ZnPc played a significant role in the observed spectrochemical response to THC. These results demonstrate the potential for ZnPc-based chemical probes for the use in detection of THC.