N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide | 1443793-84-7

• 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: N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
• CAS: 1443793-84-7
• 化学式: C₅₃H₄₈N₄O₈S₄
• 分子量: 997.25
• InChiKey: XCPCOGWWYBGVLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  69
• 可旋转键数：
  24
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  266
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  甲醇 、 N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide 、 gadolinium(III) nitrate 以 乙酸乙酯 为溶剂， 生成 [Gd(C(CH₂O(C₆H₄)C(O)NHCH₂(C₄H₃S))₄)₂(NO₃)₆(CH₃OH)₂]*4CH₃OH
  参考文献：
  名称：

  Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand

  摘要：

  Five new homodinuclear lanthanide(III) complexes with a new tetrapodal thenylsalicylamide ligand (L), of formulae [Nd2L2(NO3)(6)(CH3OH)(2)]center dot 2H(2)O center dot 2CH(3)OH (1), and [Ln(2)L(2)(NO3)(6) (CH3OH)(2)]center dot 4CH(3)OH, Ln = Sm (2), Eu (3), Gd (4), Tb (5)) have been synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and molar conductance analysis. The two arms of L ligand arranged in a complementary head to head fashion to bind two lanthanide to form a cage-like coordination dimer with the other two uncoordinated arms constructing interesting three dimensional supramolecular structures. The europium and terbium containing compounds both exhibit luminescence of the referring trivalent lanthanide ions, giving a red luminescence for Eu(III) and a green luminescence for Tb(III) triggered by an efficient antenna effect of the thenylsalicylamide group. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.040
• 作为产物：
  描述：

  2-hydroxy-N-(thiophen-2-ylmethyl)benzamide 、 pentaerythritol tetrakis(benzenesulfonate) 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以76%的产率得到N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
  参考文献：
  名称：

  Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand

  摘要：

  Five new homodinuclear lanthanide(III) complexes with a new tetrapodal thenylsalicylamide ligand (L), of formulae [Nd2L2(NO3)(6)(CH3OH)(2)]center dot 2H(2)O center dot 2CH(3)OH (1), and [Ln(2)L(2)(NO3)(6) (CH3OH)(2)]center dot 4CH(3)OH, Ln = Sm (2), Eu (3), Gd (4), Tb (5)) have been synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and molar conductance analysis. The two arms of L ligand arranged in a complementary head to head fashion to bind two lanthanide to form a cage-like coordination dimer with the other two uncoordinated arms constructing interesting three dimensional supramolecular structures. The europium and terbium containing compounds both exhibit luminescence of the referring trivalent lanthanide ions, giving a red luminescence for Eu(III) and a green luminescence for Tb(III) triggered by an efficient antenna effect of the thenylsalicylamide group. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.040