4′-(4-[4-(1H-1,2,4-triazolyl)styryl]phenyl)-2,2′:6′,2″-terpyridine | 1312798-92-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 4′-(4-[4-(1H-1,2,4-triazolyl)styryl]phenyl)-2,2′:6′,2″-terpyridine
• 英文别名: 4'-(4-[4-(imidazol-1-yl)styryl]phenyl)-2,2':6',2"-terpyridine；4'-(4-[4-(imidazolyl)styryl]phenyl)-2,2':6',2''-terpyridine
• CAS: 1312798-92-7
• 化学式: C₃₂H₂₃N₅
• 分子量: 477.568
• InChiKey: KAJPGBPLQVMDKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.23
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4′-(4-[4-(1H-1,2,4-triazolyl)styryl]phenyl)-2,2′:6′,2″-terpyridine 、 cadmium(II) thiocyanate 以 甲醇 、 氯仿 为溶剂， 生成 Cd(4′-(4-[4-(1H-1,2,4-triazolyl)styryl]phenyl)-2,2′:6′,2″-terpyridine)NCS₂
  参考文献：
  名称：

  New dyes with enhanced two-photon absorption cross-sections based on the Cd(II) and 4′-(4-[4-(imidazole)styryl]phenyl)-2,2′ : 6′,2″-terpyridine

  摘要：

  A series of new cadmium complexes (dyes 1-5) were obtained by assembly of the donor-bridge-acceptor (D--A)-type ligand (L: 4-(4-[4-(imidazole)styryl]phenyl) 2,2:6,2-terpyridine) with CdX2 (X=Cl, Br, I, NCS, ClO4), in which dye 3 was characterized by single crystal X-ray diffraction. Various weak interactions, including hydrogen bonds (C-HN, C-HX) and - interactions, played significant roles in the final topological structures. Linear and non-linear optical properties of ligand and the complexes were investigated. The two-photon absorption cross-section of these complexes are larger than that of ligand with maximum values of 577GM (dye 1), 242GM (dye 2), 171GM (dye 3), 326GM (dye 4), and 215GM (dye 5) in N,N-dimethylformamide.

  DOI：

  10.1080/00958972.2013.819493
• 作为产物：
  描述：

  1-(2-pyridyl)-3-(4-tolyl)propen-1-one 在 N-溴代丁二酰亚胺(NBS) 、 2-(4-联苯基)-5-苯基唑 、 potassium tert-butylate 、 ammonium acetate 、 sodium hydroxide 作用下， 以 四氯化碳 、 乙醇 、 水 、 甲苯 为溶剂， 反应 0.5h， 生成 4′-(4-[4-(1H-1,2,4-triazolyl)styryl]phenyl)-2,2′:6′,2″-terpyridine
  参考文献：
  名称：

  Three new five-coordinated mercury (II) dyes: Structure and enhanced two-photon absorption

  摘要：

  A new donor bridge acceptor (D-pi-A) type ligand (L: 4'-(4-[4-(imidazole)styryl]phenyl)-2,2':6',2 ''-terpyridine) with two-photon absorption and coordination ability was designed and synthesized. Self-assembly of the ligand with HgX2 (X = Cl, Br, I) yielded a series of new coordination complexes (Dyes 1-3) with five-coordinated mercury (II), which were characterized by single crystal X-ray diffraction determination. Solvent molecules and various weak interactions, including hydrogen bonds (C-H center dot center dot center dot N, C-H center dot center dot center dot X) and pi-pi interactions played significant roles in the final topological structures. Linear and nonlinear optical properties of the ligand and three dyes were described. Experimental results revealed that two-photon absorption cross sections of three dyes are extraordinary stronger than that of ligand. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.03.024