15N-benzylphthalimide | 159718-59-9

• 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: 15N-benzylphthalimide
• 英文别名: <15N>-N-benzylphthalimide；<15N>-benzylphthalimide；(15)N-benzylphtalimide；2-benzylisoindole-1,3-dione
• CAS: 159718-59-9
• 化学式: C₁₅H₁₁NO₂
• 分子量: 238.251
• InChiKey: WITXFYCLPDFRNM-LOYIAQTISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  15N-benzylphthalimide 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 苯甲基胺-15N
  参考文献：
  名称：

  Revealing molecular self-assembly and geometry of non-covalent halogen bonding by solid-state NMR spectroscopy

  摘要：

  我们报道了卤键自组装聚集体中分子间接触的新光谱指纹，并精确测定了微晶样品中分子间N⋯I距离。

  DOI：

  10.1039/b813237b
• 作为产物：
  描述：

  酞酰亚胺-15N钾盐 、 alkaline earth salt of/the/ methylsulfuric acid 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 15N-benzylphthalimide
  参考文献：
  名称：

  Solid-State NMR Characterization of 13 C- and 15 N-Labeled Phthalimides as Model Compounds for Studying Polyimides

  摘要：

  N-15 CSA spectra were acquired for four isotopically labeled bisphthalimide compounds. The N-15 CSA tenser elements (delta(11), delta(22), and delta(33)) for the labeled derivatives were determined from CSA lineshape analysis. In addition, the CSA spectrum for the N-15, C-13-labeled N-methylphthalimide was obtained. From CSA lineshape analysis, it was determined that delta(33) lies approximately along the N-C bond axis, with delta(22) assumed to be approximately perpendicular to the imide plane. The angles alpha and beta were found to be 90 degrees and 7 degrees, respectively. The dipolar coupling constant for the C-13-N-15 bond was 883 Hz, corresponding to a bond length of 1.51 Angstrom. (C) 1995 Academic Press, Inc.

  DOI：

  10.1006/jmra.1995.0004

文献信息

• Synthesis of isotopically-labelled nitroxyl radicals for use as spin probes
  作者：Roger Bolton、Leslie H. Sutcliffe、Xiaoping Wu

  DOI：10.1002/jlcr.2580340711

  日期：1994.7

  The synthesis of [15N]-1,1,3,3-tetrakis(trideuteriomethyl)isoindolin-2-yloxyl and of some 5-alkyl derivatives have been achieved by standard synthetic routes.1 The presence of deuterium improves the sharpness of the signals, and this, together with the incorporation of nitrogen-15, enhances the application of such compounds as spin probes; alkyl substituents at C-5 improve the lipophilicity.

  [15N]-1,1,3,3-四（三氘代甲基）异吲哚啉-2-基氧基和一些 5-烷基衍生物的合成已通过标准合成路线实现。1 氘的存在提高了信号的清晰度，这与氮 15 的掺入一起增强了此类化合物作为自旋探针的应用； C-5处的烷基取代基提高了亲脂性。
• Revealing molecular self-assembly and geometry of non-covalent halogen bonding by solid-state NMR spectroscopy
  作者：Markus Weingarth、Noureddine Raouafi、Benjamin Jouvelet、Luminita Duma、Geoffrey Bodenhausen、Khaled Boujlel、Bernd Schöllhorn、Piotr Tekely

  DOI：10.1039/b813237b

  日期：——

  We report a new spectroscopic fingerprint of intermolecular contacts in halogen bond-driven self-assembling aggregates and a precise determination of intermolecular N⋯I distances in microcrystalline samples.

  我们报道了卤键自组装聚集体中分子间接触的新光谱指纹，并精确测定了微晶样品中分子间N⋯I距离。
• Solid-State NMR Characterization of 13 C- and 15 N-Labeled Phthalimides as Model Compounds for Studying Polyimides
  作者：WILLIAM L. JARRETT、GREG C. JOHNSON、LON J. MATHIAS

  DOI：10.1006/jmra.1995.0004

  日期：1995.10

  N-15 CSA spectra were acquired for four isotopically labeled bisphthalimide compounds. The N-15 CSA tenser elements (delta(11), delta(22), and delta(33)) for the labeled derivatives were determined from CSA lineshape analysis. In addition, the CSA spectrum for the N-15, C-13-labeled N-methylphthalimide was obtained. From CSA lineshape analysis, it was determined that delta(33) lies approximately along the N-C bond axis, with delta(22) assumed to be approximately perpendicular to the imide plane. The angles alpha and beta were found to be 90 degrees and 7 degrees, respectively. The dipolar coupling constant for the C-13-N-15 bond was 883 Hz, corresponding to a bond length of 1.51 Angstrom. (C) 1995 Academic Press, Inc.