7-(4-(4,5-di(thien-2-yl)-1H-imidazol-2-yl)phenyl)-1,4,10,13-tetraoxa-7-azacyclopentadecane | 1256568-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-(4-(4,5-di(thien-2-yl)-1H-imidazol-2-yl)phenyl)-1,4,10,13-tetraoxa-7-azacyclopentadecane
• 英文别名: 13-[4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
• CAS: 1256568-84-9
• 化学式: C₂₇H₃₁N₃O₄S₂
• 分子量: 525.693
• InChiKey: HDMYMHLBGCORLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7-(4-(4,5-di(thien-2-yl)-1H-imidazol-2-yl)phenyl)-1,4,10,13-tetraoxa-7-azacyclopentadecane 、 mercury(II) trifluoroacetate 以 乙醇 为溶剂， 以77%的产率得到(7-(4-(4,5-di(thien-2-yl)-1H-imidazol-2-yl)phenyl)-1,4,10,13-tetraoxa-7-azacyclopentadecane)mercury(II) trifluoroacetate pentahydrate
  参考文献：
  名称：

  Exploring the Emissive Properties of New Azacrown Compounds Bearing Aryl, Furyl, or Thienyl Moieties: A Special Case of Chelation Enhancement of Fluorescence upon Interaction with Ca²⁺, Cu²⁺, or Ni²⁺

  摘要：

  Three new compounds bearing furyl, aryl, or thienyl moieties linked to an imidazo-crown ether system (1, 2, and 3) were synthesized and fully characterized by elemental analysis, infrared, UV vis absorption, and emission spectroscopy, X-ray crystal diffraction, and MALDI-TOF-MS spectrometry. The interaction toward metal ions (Ca2+, Cu2+, Ni2+, and Hg2+) and F- has been explored in solution by absorption and fluorescence spectroscopy. Mononuclear and binuclear metal complexes using Cu2+ or Hg2+ as metal centers have been synthesized and characterized. Compounds 2 and 3 show a noticeable enhancement of the fluorescence intensity in the presence of Ca2+ and Cu2+ ions. Moreover compound 3 presents a dual sensory detection way by modification of the fluorimetric and colorimetric properties in the presence of Cu2+ or Hg2+. ERR studies in frozen solution and in microcrystalline state of the dinuclear Cu(II)3 complex revealed the presence of an unique Cu2+ type.

  DOI：

  10.1021/ic101095y
• 作为产物：
  描述：

  噻吩偶姻 、 4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-benzaldehyde 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以47%的产率得到7-(4-(4,5-di(thien-2-yl)-1H-imidazol-2-yl)phenyl)-1,4,10,13-tetraoxa-7-azacyclopentadecane
  参考文献：
  名称：

  Exploring the Emissive Properties of New Azacrown Compounds Bearing Aryl, Furyl, or Thienyl Moieties: A Special Case of Chelation Enhancement of Fluorescence upon Interaction with Ca²⁺, Cu²⁺, or Ni²⁺

  摘要：

  Three new compounds bearing furyl, aryl, or thienyl moieties linked to an imidazo-crown ether system (1, 2, and 3) were synthesized and fully characterized by elemental analysis, infrared, UV vis absorption, and emission spectroscopy, X-ray crystal diffraction, and MALDI-TOF-MS spectrometry. The interaction toward metal ions (Ca2+, Cu2+, Ni2+, and Hg2+) and F- has been explored in solution by absorption and fluorescence spectroscopy. Mononuclear and binuclear metal complexes using Cu2+ or Hg2+ as metal centers have been synthesized and characterized. Compounds 2 and 3 show a noticeable enhancement of the fluorescence intensity in the presence of Ca2+ and Cu2+ ions. Moreover compound 3 presents a dual sensory detection way by modification of the fluorimetric and colorimetric properties in the presence of Cu2+ or Hg2+. ERR studies in frozen solution and in microcrystalline state of the dinuclear Cu(II)3 complex revealed the presence of an unique Cu2+ type.

  DOI：

  10.1021/ic101095y