2-[2-[Carboxymethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]ethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]acetic acid | 951170-65-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[2-[Carboxymethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]ethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]acetic acid
• CAS: 951170-65-3
• 化学式: C₃₀H₃₀N₄O₆
• 分子量: 542.591
• InChiKey: MSWSTAMYRJFICY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  锌 、 2-[2-[Carboxymethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]ethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]acetic acid 在 NaCl 作用下， 以 重水 为溶剂， 生成
  参考文献：
  名称：

  Solution structures of fluorescent Zn(II) complexes with bis(naphthyl amide)–EDTA

  摘要：

  Two EDTA-based bichromophoric isomers form Zn(II) complexes that exhibit distinct fluorescent behaviors; the ligands are abbreviated as (edta1nap)H-2 and (edta(2)nap)H-2, each of which consists of an EDTA chain linked to two 1-naphthyl or 2-naphthyl groups. The coordination chemistry of these complexes was studied by UV-Vis, fluorescence and H-1 NMR. The formation constants and the inherent emission intensities were determined by the pH dependence of the emission spectra; the species of the most intense emission is ML(OH) for L = (edta1nap)(2-), and ML for (edta2nap)(2-). The H-1 NMR of Zn-(edta1nap)(2-) exhibits two sets of signals due to a slow exchange between two equivalent coordination geometries, whereas Zn-(edta2nap)(2-) undergoes a fast exchange to show a single set of NMR signals. The spin-lattice relaxation time T-1 determined for the isostructural Mn(II) complexes shows that the naphthyl proton closest to the metal ion is H(8) in the (edta1nap)(2-) complex, and H(3) in the (edta2nap)(2-) complex. The two ligands differ only in the substitution position of the naphthyl group, but this apparently small difference leads to the notable difference in structural, dynamic, and consequent emission-spectral properties of their metal complexes as a result of the steric and size effects of the aromatic rings. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.12.002