tert-butyl (2-(2-(4'-methyl-[2,2'-bipyridin]-4-yl)acetamido)ethyl)carbamate | 1380720-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tert-butyl (2-(2-(4'-methyl-[2,2'-bipyridin]-4-yl)acetamido)ethyl)carbamate
• CAS: 1380720-81-9
• 化学式: C₂₀H₂₆N₄O₃
• 分子量: 370.451
• InChiKey: LILFEJJDIPBCTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.21
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(2-(4'-methyl-[2,2'-bipyridin]-4-yl)acetamido)ethyl)carbamate 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  NMR investigations of the solution structures of Ru–Zn complexes tethered by oligo(aminoethylglycine) chains

  摘要：

  [Ru(bpy)(3)](2+) complexes derivatized with two aminoethylglycine (aeg) chains bearing pendant bipyridine ligands coordinate Zn2+ to form a coordinative interchain crosslink. Although [Zn(bpy)(2)](2+) is both redox and spectroscopically silent, when bound to [Ru(bpy)(3)](2+) by the aeg strands it causes quenching of the emissive Ru complex excited state. H-1 NMR spectroscopy is used to monitor changes in the structure and environment of the Ru complex during a titration as Zn2+ is added. Using spectral assignments from 1 and 2D NMR spectra, the spectrophotometric titrations reveal that Zn2+ binding causes significant shifts of the peaks assigned to the protons on the [Ru(bpy)(3)](2+) core that are closest to the Zn2+. These shifts reveal changes in the local environment that are likely a combination of electrostatic interactions between the two dication metal complexes and strain induced by the metal ion crosslinking the strands. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.02.030
• 作为产物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 2-(4'-methyl-[2,2'-bipyridin]-4-yl)acetic acid 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.17h， 以35%的产率得到tert-butyl (2-(2-(4'-methyl-[2,2'-bipyridin]-4-yl)acetamido)ethyl)carbamate
  参考文献：
  名称：

  NMR investigations of the solution structures of Ru–Zn complexes tethered by oligo(aminoethylglycine) chains

  摘要：

  [Ru(bpy)(3)](2+) complexes derivatized with two aminoethylglycine (aeg) chains bearing pendant bipyridine ligands coordinate Zn2+ to form a coordinative interchain crosslink. Although [Zn(bpy)(2)](2+) is both redox and spectroscopically silent, when bound to [Ru(bpy)(3)](2+) by the aeg strands it causes quenching of the emissive Ru complex excited state. H-1 NMR spectroscopy is used to monitor changes in the structure and environment of the Ru complex during a titration as Zn2+ is added. Using spectral assignments from 1 and 2D NMR spectra, the spectrophotometric titrations reveal that Zn2+ binding causes significant shifts of the peaks assigned to the protons on the [Ru(bpy)(3)](2+) core that are closest to the Zn2+. These shifts reveal changes in the local environment that are likely a combination of electrostatic interactions between the two dication metal complexes and strain induced by the metal ion crosslinking the strands. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.02.030