[15N]-N,N-dimethylaniline | 83858-83-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [15N]-N,N-dimethylaniline
• 英文别名: N,N-dimethyl(15N)aniline
• CAS: 83858-83-7
• 化学式: C₈H₁₁N
• 分子量: 122.175
• InChiKey: JLTDJTHDQAWBAV-QBZHADDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  [15N]-N,N-dimethylaniline 在 sodium nitrite 作用下， 生成
  参考文献：
  名称：

  Solvent and Solvent Density Effects on the Spectral Shifts and the Bandwidths of the Absorption and the Resonance Raman Spectra of Phenol Blue

  摘要：

  We have measured the absorption and the resonance Raman spectra of a solvatochromic dye, phenol blue, in liquid and supercritical solvents. We have found anomalous solvent dependence of the absorption bandwidth in liquid solvents: the width has apparently no correlation with the absorption peak shift. On the other hand, we have found good linear correlation between the absorption peak shift and the peak position of the resonance Raman bands (the C=N and the C=O stretching modes). The relative intensities of the Raman bands and the bandwidth of the C=N stretching mode also show correlation with the absorption peak shift. Incorporating these Raman data, the anomalous bandwidth of the absorption spectrum is explained by the change of the intramolecular vibrational contribution to the absorption bandwidth due to the electronic structure change by the solvent, which cancels the change of the solvent contribution. We have estimated the solvent reorganization energy assuming linear dependence of the intramolecular contribution on the absorption band center and neglecting the solvent reorganization energy in alkanes such as ethane and cyclohexane. In liquid solution, the estimated solvent reorganization energy is correlated fairly well with the absorption peak shift. Solvent dependence of the Raman bandwidth of the C=N stretching mode resembles the solvent dependence of the solvent reorganization energy estimated in this way. Relatively large bandwidths of both absorption and resonance Raman spectra have been observed in supercritical solvents compared with those in liquid solvents of a similar absorption peak shift. We interpreted this as due to the small refractive indices of the supercritical solvents relative to the liquid solvents; the large refractive indices of the liquid solvents only make the absorption peak shifts without broadening the absorption spectra.

  DOI：

  10.1021/jp971310f
• 作为产物：
  描述：

  苯胺-15N 、 碘甲烷 在 四丁基碘化铵 、 potassium hydroxide 作用下， 以 水 、 苯 为溶剂， 反应 24.0h， 以51%的产率得到[15N]-N,N-dimethylaniline
  参考文献：
  名称：

  无金属催化剂介导的氢化反应中仲氢诱导的极化

  摘要：

  在无金属氢硼烷催化剂介导的仲氢炔烃氢化反应中，观察到烯烃产物中核自旋的显着超极化。观察到的效果是不寻常的，因为反应机制不是成对的，因此仅允许双键处两个质子中的一个超极化。此外，这使得各种重要的中间体能够通过超极化1 H、 11 B 和15 N NMR 光谱进行表征。

  DOI：

  10.1002/chem.202103501

文献信息

• Synthesis of selectively15N- or13C-labelled malachite green
  作者：Steven C. DeFina、Thorsten Dieckmann

  DOI：10.1002/jlcr.554

  日期：2002.3.15

  Two complimentary syntheses of selectively 15N- or 13C-labelled malachite green hydrochloride were developed in order to provide labelled ligands for structural studies of RNA aptamer/ligand complexes. The 15N- and 13C-labelled versions of the dye have been used in NMR studies to probe the changes in the electronic charge distribution and dynamics of the dye upon binding to RNA. Copyright © 2002 John Wiley & Sons, Ltd.

  开发了两种互补的合成方法，分别制备了选择性15N或13C标记的孔雀石绿盐酸盐，以便为RNA适配体/配体复合物的结构研究提供标记配体。这种15N和13C标记的染料版本已用于核磁共振研究，以探测染料在结合RNA时电子电荷分布和动力学的变化。版权所有 © 2002 John Wiley & Sons, Ltd.
• 一种稳定同位素标记碱性嫩黄O及其合成方 法
  申请人：上海化工研究院有限公司

  公开号：CN104945277B

  公开（公告）日：2017-07-07

  本发明涉及一种稳定同位素标记碱性嫩黄O及其合成方法，所述的稳定同位素标记碱性嫩黄O为D或15N或13C标记的碱性嫩黄O，制备时，以稳定同位素D或15N或13C标记甲醇、苯胺为原料，合成得到稳定同位素D或15N或13C标记的N,N‑二甲基苯胺前体，再经缩合、硫化、氨化，制成稳定同位素D或15N或13C标记碱性嫩黄O。与现有技术相比，本发明工艺路线简单，易于合成，产品易分离提纯，产品化学纯度在99.0％以上，同位素丰度在98.0％atom以上，可充分满足食品安全领域痕量检测的需求，经济性和使用价值良好，具有较好的推广前景。
• Clemens, Anthony H.; Helsby, Paul; Ridd, John H., Journal of the Chemical Society. Perkin transactions II, 1985, p. 1217 - 1226
  作者：Clemens, Anthony H.、Helsby, Paul、Ridd, John H.、Al-Omran, Fatima、Sandall, John P. B.

  DOI：——

  日期：——