4-(3-pyridylmethylthio)benzoic acid | 954269-24-0

• 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-(3-pyridylmethylthio)benzoic acid
• 英文别名: 4-[(Pyridin-3-ylmethyl)sulfanyl]benzoic acid；4-(pyridin-3-ylmethylsulfanyl)benzoic acid
• CAS: 954269-24-0
• 化学式: C₁₃H₁₁NO₂S
• mdl: MFCD09737036
• 分子量: 245.302
• InChiKey: HFAWRXYOQXAQEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  75.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-pyridylmethylthio)benzoic acid 、 水 、 锌 以 水 为溶剂， 以33%的产率得到[Zn(4-(3-pyridylmethylthio)benzoate)2(H2O)]n
  参考文献：
  名称：

  1D, 2D and 3D luminescent zinc(ii) coordination polymers assembled from varying flexible thioether ligands

  摘要：

  使用一系列柔性硫醚配体，4-(2-吡啶基甲硫)苯甲酸（HL1）、4-(4-吡啶基甲硫)苯甲酸（HL2）和4-(3-吡啶基甲硫)苯甲酸（HL3），获得了一个一维无限链 [Zn3(L1)6]n (1)、一个二维互渗透片 [Zn(L2)2]n (2) 和一个手性三维框架 [Zn(L3)2H2O]n (3)。还研究了这些化合物的发光性质。

  DOI：

  10.1039/b806964f

文献信息

• Synthesis, structures and magnetic properties of 1D to 3D coordinated polymers based on series of flexible sulfide ligands
  作者：Ming-Li Liu、Peng Ren、Wei Shi、Jian Zhong Cui、Peng Cheng、Hong-Ling Gao

  DOI：10.1016/j.ica.2011.08.022

  日期：2011.11

  Five complexes [Mn2O(L-1)(4)](n) (1), [Co(L-2)(H2O)(2)](n) (2), [Co(L-3)(2)(H2O)(2)](n) (3) and [Co(L-4)(2)(4,4'-bpy)(H2O)](n) (4) were obtained by using flexible organic ligands HL1, HL2, HL3, and HL4 in hydrothermal systems with cobalt, copper and manganese salts respectively (HL1 = 2-(4-pyridylmethylthio)benzoic acid, HL2 = 4-(4-pyridylmethylthio)benzoic acid, HL3 = 2-(3-pyridylmethylthio)benzoic acid, HL4 = 4-(2-pyridylmethylthio)benzoic acid). The five complexes have been characterized by X-ray single crystal diffraction, FT-IR spectrum and elemental analysis. Complex 1 is assembled to a 3D porous framework with Mn2O units as nodes. Complex 2 shows 2D layer networks comprised of six-coordinated Co2+ centers and L-2 anionic ions. Complexes 3 and 4 have different 1D double or single chain structures. Various non-covalent bonds such as hydrogen bonds, pi center dot center dot center dot pi interactions, H-bond grids and S center dot center dot center dot S weak interactions lead to interesting supramolecular frameworks. DC (direct current) temperature dependent magnetic susceptibilities suggest weak antiferromagnetic behaviors exist in 1, and single ion paramagnetic along with spin-orbit coupling behavior dominate in 3 and 4. (C) 2011 Elsevier B.V. All rights reserved.