4,4'-di(3-methyl)pyridyl sulfide | 78285-58-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,4'-di(3-methyl)pyridyl sulfide
• 英文别名: 4,4'-Sulfanediylbis(3-methylpyridine)；3-methyl-4-(3-methylpyridin-4-yl)sulfanylpyridine
• CAS: 78285-58-2
• 化学式: C₁₂H₁₂N₂S
• 分子量: 216.307
• InChiKey: BCQODAPXLTXVEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4'-di(3-methyl)pyridyl sulfide 、 zinc(II) chloride 以 乙醇 、 氯仿 、 水 为溶剂， 以60%的产率得到[Zn(4,4'-di(3-methyl)pyridyl sulfide)Cl2]
  参考文献：
  名称：

  Crystal structures and physico-chemical properties of two new one-dimensional zinc(II) complexes with sulfide bridging bispyridines

  摘要：

  4,4'-Dipyridyl sulfide (L-1) and 4,4'-di(3-methyl)pyridyl (L-2) sulfide coordination compounds of the general formula Zn(L)(X)(2) (L-1 = 4,4'-dipyridyl sulfide; L-2 = 4,4'-di(3-methyl)pyridyl sulfide; X = CH3COO-, Cl-), have been obtained. The compounds were characterized by single crystal X-ray diffraction, elemental analysis, IR and H-1 NMR. Both compounds are of one-dimensional coordination polymers and crystallize in the orthorhombic systems, while in different space groups with Pnc2 for [ZnL1(CH3COO)(2)] 1 and Pna2(1) for [ZnL2Cl2] 2, respectively. X-ray analysis and H-1 NMR experiments indicate that variation of ligands rather than counter anions, CH3COO- and Cl-, leads to the change in the, modes of the dimensionality array, that is, complexes 1 prefers a linear coordination fashion while complexes 2 exhibits a zigzag conformation. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00446-5
• 作为产物：
  描述：

  3,3'-dimethyl-[1,4']bipyridylium; chloride-hydrochloride 在 吡啶 、 硫脲 作用下， 反应 1.0h， 生成 3-甲基-4-吡啶硫醇 、 4,4'-di(3-methyl)pyridyl sulfide
  参考文献：
  名称：

  Boduszek, B., Polish Journal of Chemistry, 1992, vol. 66, # 5, p. 787 - 790

  摘要：

  DOI：

文献信息

• Engineering of non-interpenetrating 3-D and 2-D networks and guest adsorption based on 4,4′-di(3-methyl)pyridyl sulfide copper(ii) complexes
  作者：Xun-Cheng Su、Shourong Zhu、Hua-Kuan Lin、Xue-Bing Leng、Yun-Ti Chen

  DOI：10.1039/b104515f

  日期：2001.10.31

  Two new coordination compounds, [Cu(L)2SO4]·0.5H2O·0.5CH2Cl2 (1) and [Cu(L)2(SCN)2]·3CHCl3 (2), were synthesized and structurally characterized. The molecular architectures of the 4,4′-di(3-methyl)pyridyl sulfide (L) coordination polymer networks are anion dependent. The molecular architecture of 1 is a 3-D non-interpenetrating network, SO42− serving as a bridging ligand to connect two copper ions resulting in a rhombic box with a volume of 793 Å3. While 2 is a 2-D planar network with SCN− acting as a mono-coordinating ligand. Guest adsorption experiments show that 1 prefers to selectively adsorb 4-chlorophenol rather than nitrobenzene and benzophenone and DMF. In contrast, 2 does not adsorb any of the above guest species.

  我们合成了[Cu(L)2SO4]Â-0.5H2OÂ-0.5CH2Cl2（1）和[Cu(L)2(SCN)2]Â-3CHCl3（2）这两种新的配位化合物，并对其进行了结构表征。4,4â²-二（3-甲基）硫化吡啶（L）配位聚合物网络的分子结构与阴离子有关。1 的分子结构为三维非穿透网络，SO42â 作为桥接配体连接两个铜离子，形成一个体积为 793 Ã 3 的菱形盒。而 2 是一种二维平面网络，SCNâ 是一种单配位配体。客体吸附实验表明，1 更倾向于选择性地吸附 4-氯苯酚，而不是硝基苯、二苯甲酮和 DMF。相反，2 不吸附任何上述客体。
• BODUSZEK B.; WIECZOREK J. S., MONATSH. CHEM., 1980, 111, NO 5, 1111-1116
  作者：BODUSZEK B.、 WIECZOREK J. S.

  DOI：——

  日期：——
• BODUSZEK, B.;WIECZOREK, J. S.
  作者：BODUSZEK, B.、WIECZOREK, J. S.

  DOI：——

  日期：——
• Crystal structures and physico-chemical properties of two new one-dimensional zinc(II) complexes with sulfide bridging bispyridines
  作者：Xun-Cheng Su、Yan-he Guo、Shou-Rong Zhu、Hua-Kuan Lin

  DOI：10.1016/s0022-2860(02)00446-5

  日期：2002.12

  4,4'-Dipyridyl sulfide (L-1) and 4,4'-di(3-methyl)pyridyl (L-2) sulfide coordination compounds of the general formula Zn(L)(X)(2) (L-1 = 4,4'-dipyridyl sulfide; L-2 = 4,4'-di(3-methyl)pyridyl sulfide; X = CH3COO-, Cl-), have been obtained. The compounds were characterized by single crystal X-ray diffraction, elemental analysis, IR and H-1 NMR. Both compounds are of one-dimensional coordination polymers and crystallize in the orthorhombic systems, while in different space groups with Pnc2 for [ZnL1(CH3COO)(2)] 1 and Pna2(1) for [ZnL2Cl2] 2, respectively. X-ray analysis and H-1 NMR experiments indicate that variation of ligands rather than counter anions, CH3COO- and Cl-, leads to the change in the, modes of the dimensionality array, that is, complexes 1 prefers a linear coordination fashion while complexes 2 exhibits a zigzag conformation. (C) 2002 Elsevier Science B.V. All rights reserved.
• Boduszek, B., Polish Journal of Chemistry, 1992, vol. 66, # 5, p. 787 - 790
  作者：Boduszek, B.

  DOI：——

  日期：——