2,6-bis (8-quinolinylthiomethyl)pyridine | 66434-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,6-bis (8-quinolinylthiomethyl)pyridine
• 英文别名: 2,6-bis(8-quinolinylthiomethyl) pyridine；2,6-bis(8-quinolinylthiomethyl)pyridine；8-[[6-(Quinolin-8-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]quinoline
• CAS: 66434-06-8
• 化学式: C₂₅H₁₉N₃S₂
• 分子量: 425.578
• InChiKey: LUBCIDUIGUDCDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  89.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-bis (8-quinolinylthiomethyl)pyridine 以94%的产率得到
  参考文献：
  名称：

  RASSHOFER W.; OEPEN G.; MUELLER W. M.; VOEGTLE F., CHEM. BER. , 1978, 111, NO 3, 1108-1125

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二氯甲基吡啶 、 8-巯基喹啉 以57%的产率得到
  参考文献：
  名称：

  RASSHOFER W.; OEPEN G.; MUELLER W. M.; VOEGTLE F., CHEM. BER. , 1978, 111, NO 3, 1108-1125

  摘要：

  DOI：

文献信息

• Study on pesticide activities of four ligands and their transition metal complexes with 8-mercaptoquinoline and pyridine terminal groups
  作者：Ya-Jie Liu、Jing-An Zhang、Li-Jie Zhang、Xun-Zhong Zou、Ning Li、Yu Li

  DOI：10.1016/j.inoche.2015.04.016

  日期：2015.7

  their 21 kinds of transitional metal complexes have been synthesized, in which two new complexes have been prepared and tested. Some potential laws were obtained by comparing the pesticide activities of four kinds of ligands and their 21 kinds of transitional metal complexes based on the difference of metal ions, anions and spatial structures. The results revealed that the complexes with Ag + ion had

  摘要 合成了4种硫醚配体(Q1-Q4)及其21种过渡金属配合物，制备并测试了两种新型配合物。根据金属离子、阴离子和空间结构的差异，比较4种配体及其21种过渡金属配合物的农药活性，得出一些潜在规律。结果表明，与Ag + 离子的配合物具有非常突出的杀虫活性，这可能与双金属环的结构单元有关，阴离子的抑菌作用依次为Cl - > BF 4 - > ClO 4 - = CF 3 CO 2 - > CF 3 SO 3 - > NO 3 - 。与配体Q1-Q4相比，配体Q1的抑制作用最好，这可能与稳定的空间结构有关。
• Syntheses, crystal structures and antimicrobial activities of thioether ligands containing quinoline and pyridine terminal groups and their transition metal complexes
  作者：Jing-An Zhang、Mei Pan、Ji-Jun Jiang、Zhi-Gang She、Zhi-Jin Fan、Cheng-Yong Su

  DOI：10.1016/j.ica.2011.02.073

  日期：2011.8

  Eleven transition metal complexes of three asymmetrical tridentate thioether ligands, 8-((pyridin-2-yl)methylthio) quinoline (TQMP2), 8-((pyridin-3-yl)methylthio) quinoline (TQMP3), 8-((pyridin-4-yl) methylthio) quinoline (TQMP4) and one symmetrical pentadentate ligand 2,6-bis (8-quinolinylthiomethyl) pyridine (DTQMP) were prepared. The structures of all these complexes were identified by means of elemental analysis (EA), infrared spectra (IR) and single-crystal diffraction, providing three different kinds of basic conformations, (1) discrete mononuclear structures, (2) dinuclear rings and (3) 1D polymer chains. The antibacterial, antifungal and pesticide activities of the four ligands and 11 complexes were also studied. (C) 2011 Elsevier B.V. All rights reserved.
• Crystal structures, DFT calculations and biological activities of three mercury complexes from a pentadentate thioether ligand
  作者：Yu Li、Jing-An Zhang、Yi-Bo Wang、Mei Pan、Cheng-Yong Su

  DOI：10.1016/j.inoche.2013.04.028

  日期：2013.8

  Three mercury complexes from a symmetric pentadentate ligand 2, 6-bis (8-quinolinyl thiomethyl) pyridine (L) have been prepared by the method of diffusing of diethyl ether or diisopropyl ether. The structures of the complexes have been identified by elemental analysis (EA), infrared spectra (IR) and single-crystal diffraction, and are composed of discrete mononuclear units in complexes 1 and 2 and binuclear units in complex 3. Especially, the valence of Hg in complex 3 is reduced to -1 in-situ during self-assembly and Hg-Hg sigma bond is formed, which is further evidenced by the frontier orbital and natural bond orbital (NBO) properties calculated by OFT method. The antibacterial and antifungal activities of the ligand and the three complexes were also determined, which prove foundation information for research and application in pharmaceutical chemicals. (c) 2013 Elsevier B.V. All rights reserved.