2,6-bis(5,5-dideutero-oxazolin-2-yl)-(15)N2-pyridine | 1337920-76-9

• 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: 2,6-bis(5,5-dideutero-oxazolin-2-yl)-(15)N2-pyridine
• 英文别名: 5,5-dideuterio-2-[6-(5,5-dideuterio-(315N)4H-1,3-oxazol-2-yl)pyridin-2-yl]-(315N)4H-1,3-oxazole
• CAS: 1337920-76-9
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 223.182
• InChiKey: YOCRKHKJFCWTHG-VEPQFJBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以72%的产率得到2,6-bis(5,5-dideutero-oxazolin-2-yl)-(15)N2-pyridine
  参考文献：
  名称：

  15N-D-labeled ionic probes for mass spectrometry

  摘要：

  An effective N-15- and deuterium (D)-labeled 2,6-bis(oxazolin-2-yl)pyridine (pybox) La complex based probe ionization method that produces a distinct isotopic shift was developed. The distinct isotopic shift was detected by using the newly synthesized N-15-D-labeled pybox complexes. Moreover, O-[3-(tetra-methylpybox)-propyl]-hydroxylamine (oxime-TMpybox) was prepared for attachment to the carbonyl group of the target molecule. Distinct isotopic shifts and multiple charged ions were detected for various compounds having amino, thiol, carboxyl, and carbonyl groups and fullerenes, using the TMpybox ionic probe series in cold-spray ionization mass spectrometry. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.013

文献信息

• 15N-D-labeled ionic probes for mass spectrometry
  作者：Fumihiro Ito、Shin Ando、Masato Iuchi、Taki Ukari、Momoka Takasaki、Kentaro Yamaguchi

  DOI：10.1016/j.tet.2011.08.013

  日期：2011.10

  An effective N-15- and deuterium (D)-labeled 2,6-bis(oxazolin-2-yl)pyridine (pybox) La complex based probe ionization method that produces a distinct isotopic shift was developed. The distinct isotopic shift was detected by using the newly synthesized N-15-D-labeled pybox complexes. Moreover, O-[3-(tetra-methylpybox)-propyl]-hydroxylamine (oxime-TMpybox) was prepared for attachment to the carbonyl group of the target molecule. Distinct isotopic shifts and multiple charged ions were detected for various compounds having amino, thiol, carboxyl, and carbonyl groups and fullerenes, using the TMpybox ionic probe series in cold-spray ionization mass spectrometry. (C) 2011 Elsevier Ltd. All rights reserved.