2-[[4-[[[3-[[[4-[(1,3-Dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-3-hydroxyphenyl]methyl]isoindole-1,3-dione | 1588471-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[[4-[[[3-[[[4-[(1,3-Dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-3-hydroxyphenyl]methyl]isoindole-1,3-dione
• 英文别名: 2-[[4-[[[3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-3-hydroxyphenyl]methyl]isoindole-1,3-dione
• CAS: 1588471-68-4
• 化学式: C₅₃H₄₆N₆O₇
• 分子量: 878.984
• InChiKey: FEEXFZSOMFHQEN-UHFFFAOYSA-N

物化性质

• 密度：
  1.403±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  66
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  168
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[[4-[[[3-[[[4-[(1,3-Dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-3-hydroxyphenyl]methyl]isoindole-1,3-dione 在 一水合肼 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.75h， 以70%的产率得到2,6-Bis[[[4-(aminomethyl)-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
  参考文献：
  名称：

  Ammonium-Bearing Dinuclear Copper(II) Complex: A Highly Selective and Sensitive Colorimetric Probe for Pyrophosphate

  摘要：

  Two dinuclear copper complexes with and without ammonium moieties were synthesized. The complexes exhibited selective binding affinity to pyrophosphate in aqueous solution. The dinuclear copper complex, with ammonium arms, showed a ca. 527-fold enhancement in pyrophosphate binding affinity compared with its analogue without ammonium units.

  DOI：

  10.1021/ol5007339
• 作为产物：
  描述：

  3-(氨甲基)苯酚 在 盐酸 、 磺酰氯 、 sodium cyanoborohydride 、 三乙胺 、 三氟乙酸 、 zinc(II) chloride 作用下， 以 甲醇 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 85.0h， 生成 2-[[4-[[[3-[[[4-[(1,3-Dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-3-hydroxyphenyl]methyl]isoindole-1,3-dione
  参考文献：
  名称：

  Ammonium-Bearing Dinuclear Copper(II) Complex: A Highly Selective and Sensitive Colorimetric Probe for Pyrophosphate

  摘要：

  Two dinuclear copper complexes with and without ammonium moieties were synthesized. The complexes exhibited selective binding affinity to pyrophosphate in aqueous solution. The dinuclear copper complex, with ammonium arms, showed a ca. 527-fold enhancement in pyrophosphate binding affinity compared with its analogue without ammonium units.

  DOI：

  10.1021/ol5007339

文献信息

• Ammonium-Bearing Dinuclear Copper(II) Complex: A Highly Selective and Sensitive Colorimetric Probe for Pyrophosphate
  作者：Wenxiang Yu、Jian Qiang、Jun Yin、Srinivasulu Kambam、Fang Wang、Yong Wang、Xiaoqiang Chen

  DOI：10.1021/ol5007339

  日期：2014.4.18

  Two dinuclear copper complexes with and without ammonium moieties were synthesized. The complexes exhibited selective binding affinity to pyrophosphate in aqueous solution. The dinuclear copper complex, with ammonium arms, showed a ca. 527-fold enhancement in pyrophosphate binding affinity compared with its analogue without ammonium units.