N-(2-pyridylmethylidene)taurine | 741253-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(2-pyridylmethylidene)taurine
• 英文别名: pmt；2-(pyridin-2-ylmethylideneamino)ethanesulfonic acid
• CAS: 741253-37-2
• 化学式: C₈H₁₀N₂O₃S
• 分子量: 214.245
• InChiKey: CJQRZJSODRESLS-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-pyridylmethylidene)taurine 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 生成 N-(2-pyridylmethyl)amino ethane sulfonic acid acetate
  参考文献：
  名称：

  含羧酸根和磺酸根的铜 (II) 配合物的合成、表征和结构

  摘要：

  磺酸根桥接金属中心以形成离散的双核络合物。在 4 中，磺酸盐基团连接相邻的金属中心形成一维配位聚合物结构。

  DOI：

  10.1007/s10847-011-0015-6
• 作为产物：
  描述：

  吡啶-2-甲醛 、 牛磺酸 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 生成 N-(2-pyridylmethylidene)taurine
  参考文献：
  名称：

  含羧酸根和磺酸根的铜 (II) 配合物的合成、表征和结构

  摘要：

  磺酸根桥接金属中心以形成离散的双核络合物。在 4 中，磺酸盐基团连接相邻的金属中心形成一维配位聚合物结构。

  DOI：

  10.1007/s10847-011-0015-6

文献信息

• Synthesis and Crystal Structure of a 1-D Copper(II) Coordination Polymer with <i>N</i>-(2-pyridylmethylidene)taurine
  作者：Jiaming Li、Yali Zhao、Yimin Jiang

  DOI：10.1080/15533174.2010.522532

  日期：2010.11.30

  A novel copper(II) coordination polymer with the formula [Cu(pmt)(Cl)]n (pmtH=N-(2-pyridylmethylidene)taurine) has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. Each CuII atom is six-coordinated with a distorted o4+2o octahedral geometry and a pair of chlorides and sulfonates act as 2-bridges to head the [Cu(pmt)] subunits together. The two types of rings with sharing apex Cu are alternately created and interconnected to form an interesting 1-D zigzag chain propagating along the a axis. Also, the significant weak C-H...Cl hydrogen bonds and - stacking interactions between the adjacent chains expanded the 1-D structure to 2-D network in the ac plane.
• Synthesis and Crystal Structure of a Binuclear Manganese(II) Ternary Complex Derived From <i>N</i>-(2- pyridylmethylidene)taurine and 1,10-Phenanthroline
  作者：Zhigang Wen、Jiaming Li、Hongtao Zou、Xiaofeng Li

  DOI：10.1080/15533174.2011.610091

  日期：2012.3.1

  The title compound, 1, with the formula [Mn-2(pmt)(2)(1,10-phen)(2)]center dot 2ClO(4) [N-(2-pyridylmethylidene)taurine (abbreviated as pmt), consists of a structurally centrosymmetric dinuclear Mn-II complex and two discrete perchlorate anions. Each Mn center is six-coordinated with an N4O2 donors set of the pmt and 1,10-phenanthorline ligands, resulting in a compressed octahedral. In the crystal packing, the component cations interact with pairs of intermolecular C-H center dot center dot center dot O and pi-pi contacts forming a 2-D network. Also, the neighboring 2-D cationic layers are connected to each other with C-H center dot center dot center dot O interactions of perchlorate oxygen atoms with the separate C center dot center dot center dot O distances of 3.204(7)-3.365(8) angstrom, giving a supramolecular 3-D network.