N-(2-phenyl-1,2-dicarbonyl)-ethyl-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane | 236746-50-2

• 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-(2-phenyl-1,2-dicarbonyl)-ethyl-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane
• 英文别名: 1-Phenyl-2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethane-1,2-dione
• CAS: 236746-50-2
• 化学式: C₂₂H₂₅NO₆
• 分子量: 399.444
• InChiKey: XURJZJARNDNRAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  lanthanum(III) nitrate hexahydrate 、 N-(2-phenyl-1,2-dicarbonyl)-ethyl-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane 在 原甲酸三乙酯 作用下， 以 乙腈 为溶剂， 生成 La(nitrate)3(N-(2-phenyl-1,2-dicarbonyl)-ethyl-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadecane)*EtOH
  参考文献：
  名称：

  Characterization and photophysical properties of lanthanide macrocyclic complexes derived from (2,1)

  摘要：

  The isolation and characterization of Ln(NO3)(3) complexes (Ln=La, Pr, Nd, Eu, Tb, Lu) with 2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopenta-decane (L-1) and two of its N-substituted derivatives (L-2, L-3) are reported. Structural information in the solid state is derived from spectroscopic data (vibrational, absorption, reflectance and luminescence spectra). Both ligand- and metal-centered luminescence of solutions of the complexes in oxygen-free and anhydrous acetonitrile are investigated. Substitution of the N-proton of the crown ether enhances metal emission. Ligand L-2 displays a good antenna effect for Eu-III luminescence, while L-3 is especially effective in transferring energy from its triplet state onto the excited states of Tb-III. The Eu-III site in Eu(NO3)(3)L-2. 0.5C(2)H(5)OH . 1.5H(2)O possesses a low local symmetry and a relatively long D-5(0) lifetime (1.01 ms). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00070-4