1-[trans-4-(4-diethylaminostyryl)phenyl]imidazole | 932714-76-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-[trans-4-(4-diethylaminostyryl)phenyl]imidazole
• 英文别名: trans-4-imidazolyl-4'-(N,N-diethylamino)stilbene；N,N-diethyl-4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]aniline
• CAS: 932714-76-6
• 化学式: C₂₁H₂₃N₃
• 分子量: 317.434
• InChiKey: CULWXQJKKDTTHM-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[trans-4-(4-diethylaminostyryl)phenyl]imidazole 、 manganese mercury tetrathiocyanate 以 氯仿 为溶剂， 以60%的产率得到[MnHg(trans-4-imidazolyl-4'-(N,N-diethylamino)stilbene)2(SCN)4]n
  参考文献：
  名称：

  Synthesis, structures and photoluminescence of thiocyanate bridged metal-organic polymers containing functional imidazole ligand

  摘要：

  Three new coordination polymers, [Cd(SCN)(2)L2L](n) (1), [CdHg(SCN)(4)L2L](n) (2) and [MnHg(SCN)(4)L-2](n) (3) have been prepared by the self-assembly of L with the corresponding metal salts and NaSCN (L is a new functional rigid imidazole ligand, trans-4-imidazolyl-4'-(N,N-diethylamino)stilbene). The crystal structures of the coordination polymers have been determined by single crystal X-ray diffraction analysis. [Cd(SCN)(2)L-2](n) (1) crystallizes in the triclinic crystal system with space group P1. Adjacent Cd-II ions are bridged by SCN- ligands to form infinite chains with the remaining two positions of six-coordinated Cd-II ion being occupied by two imidazole ligands. [CdHg(SCN)(4)L-2](n) (2) crystallizes in the triclinic crystal system with space group P1. Cd-II and Hg-II centers are bridged by SCN- ligands to form two-dimensional framework sheets. Cdn(II) and Hg-II ions are coordinated by six nitrogen atoms and four thiocyanate sulfur atoms, respectively. [MnHg(SCN)(4)L2L](n) (3) crystallizes in the monoclinic crystal system with space group P2(1)/c. Each Mn-II ion is in a N-6 distorted octahedral geometry, and each Hg-II ion is in a S-4 distorted tetrahedral geometry, which exhibit similar coordination mode to that of 2. Mn-II and Hg-II ions are linked by bridging NCS- groups to form two-dimensional sheets. The electronic spectra and solid-state luminescence properties of complexes 1, 2 and 3 have been studied at room temperature. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.038
• 作为产物：
  描述：

  (4-二乙基氨基苯基)甲醇 在 sodium hydroxide 、 potassium iodide 作用下， 以 氯仿 为溶剂， 反应 0.17h， 生成 1-[trans-4-(4-diethylaminostyryl)phenyl]imidazole
  参考文献：
  名称：

  新型咪唑衍生物及其Zn(II)配合物的合成、晶体结构和光学性质

  摘要：

  摘要 合成并充分表征了一种新型咪唑衍生物1-[反式-4-(4-二乙氨基苯乙烯基)苯基]咪唑(简称L)及其配合物Zn(SCN)2L2。它们的晶体结构已通过 X 射线衍射确定。L 的分子结构近似共面，C-C 和 C-N 的键长位于正常的双键和单键之间，这表明 L 在分子中具有离域的 π 电子系统。在Zn(SCN)2L2的分子结构中，锌原子由配体(L)的两个氮原子和硫氰酸盐的两个氮原子配位四个，形成扭曲的四面体几何结构。Zn(SCN)2L2 的一维结构是由 C-H⋯S 相互作用和 π-π 相互作用形成的。它们都在非中心对称空间群 P21 中结晶，

  DOI：

  10.1016/j.molstruc.2006.06.025