N-(2-pyridylmethyl)-1,4,7-trithia-10-azacyclododecane | 1435716-18-9

• 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-pyridylmethyl)-1,4,7-trithia-10-azacyclododecane
• 英文别名: N-(2-pyridylmethyl)-1-aza-4,7,10-trithiacyclododecane；10-(Pyridin-2-ylmethyl)-1,4,7-trithia-10-azacyclododecane；10-(pyridin-2-ylmethyl)-1,4,7-trithia-10-azacyclododecane
• CAS: 1435716-18-9
• 化学式: C₁₄H₂₂N₂S₃
• 分子量: 314.54
• InChiKey: GPSLTISLVSHESP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-pyridylmethyl)-1,4,7-trithia-10-azacyclododecane 、 molybdenum hexacarbonyl 以 甲苯 为溶剂， 反应 8.0h， 生成 carbon monoxide;molybdenum;10-(pyridin-2-ylmethyl)-1,4,7-trithia-10-azacyclododecane
  参考文献：
  名称：

  Synthesis and characterization of tricarbonyl–molybdenum complexes bearing monoaza-trithia-macrocyclic ligands

  摘要：

  Novel tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands (LXR), [Mo(CO)(3)(LXR)] (X = 12 or 14, R = H), and [Mo(CO)(3)(L14(Py)) Mo(CO)(4)] have been synthesized to gain an understanding of the unique properties of macrocyclic ligands. X-ray structure analysis of [Mo(CO)(3) (L14(H))] has revealed that intra- and intermolecular hydrogen bonds existed and these interaction regulated CO bond lengths. In addition, vibrational spectroscopy indicates that a specific hydrogen bonding interaction affects the strength of the binding of carbon monoxide molecules to the metal. In case of using L14(Py), it is expected that dinuclear molybdenum complex was generated. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.027
• 作为产物：
  描述：

  2-氯甲基吡啶盐酸盐 、 1-aza-4,7,10-trithiacyclododecane 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 30.0h， 以65%的产率得到N-(2-pyridylmethyl)-1,4,7-trithia-10-azacyclododecane
  参考文献：
  名称：

  Synthesis and characterization of tricarbonyl–molybdenum complexes bearing monoaza-trithia-macrocyclic ligands

  摘要：

  Novel tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands (LXR), [Mo(CO)(3)(LXR)] (X = 12 or 14, R = H), and [Mo(CO)(3)(L14(Py)) Mo(CO)(4)] have been synthesized to gain an understanding of the unique properties of macrocyclic ligands. X-ray structure analysis of [Mo(CO)(3) (L14(H))] has revealed that intra- and intermolecular hydrogen bonds existed and these interaction regulated CO bond lengths. In addition, vibrational spectroscopy indicates that a specific hydrogen bonding interaction affects the strength of the binding of carbon monoxide molecules to the metal. In case of using L14(Py), it is expected that dinuclear molybdenum complex was generated. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.027

文献信息

• Synthesis and characterization of tricarbonyl–molybdenum complexes bearing monoaza-trithia-macrocyclic ligands
  作者：Takahiko Ogawa、Koji Koike、Jun Matsumoto、Yuji Kajita、Hideki Masuda

  DOI：10.1016/j.ica.2013.03.027

  日期：2013.5

  Novel tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands (LXR), [Mo(CO)(3)(LXR)] (X = 12 or 14, R = H), and [Mo(CO)(3)(L14(Py)) Mo(CO)(4)] have been synthesized to gain an understanding of the unique properties of macrocyclic ligands. X-ray structure analysis of [Mo(CO)(3) (L14(H))] has revealed that intra- and intermolecular hydrogen bonds existed and these interaction regulated CO bond lengths. In addition, vibrational spectroscopy indicates that a specific hydrogen bonding interaction affects the strength of the binding of carbon monoxide molecules to the metal. In case of using L14(Py), it is expected that dinuclear molybdenum complex was generated. (c) 2013 Elsevier B.V. All rights reserved.