3,5-dichloro-4-deuteriopyridine | 851516-88-6

• 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: 3,5-dichloro-4-deuteriopyridine
• 英文别名: 3,5-Dichlor-4-deutero-pyridin
• CAS: 851516-88-6
• 化学式: C₅H₃Cl₂N
• 分子量: 148.984
• InChiKey: WPGHPGAUFIJVJF-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-dichloro-4-deuteriopyridine 、 3,4,5-三甲氧基苯甲醛 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以39%的产率得到α-(3,4,5-trimethoxyphenyl)-3,5-dichloro-4-pyridinemethanol
  参考文献：
  名称：

  On the deprotonation of 3,5-dichloropyridine using lithium bases: in situ infrared spectroscopic studies

  摘要：

  Deprotonation of 3,5-dichloropyridine using LTMP and BuLi was monitored in real time by infrared spectroscopy. It appeared that the substrate was rapidly deprotonated. Transient structures between the substrate and the lithio derivative were detected. The absorbances recorded for the lithio derivative showed that the structures obtained using LTMP and BuLi were similar. When BuLi was used to deprotonate, a complete deuteration of the lithio derivative was noted upon quenching with D2O. The latter did not allow the quantification of the lithio derivative when LTMP was used, since only partial deuteration was observed. (c) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.098
• 作为产物：
  描述：

  3,5-二氯吡啶 在 正丁基锂 、 重水 作用下， 以 四氢呋喃 为溶剂， 生成 3,5-dichloro-4-deuteriopyridine
  参考文献：
  名称：

  On the deprotonation of 3,5-dichloropyridine using lithium bases: in situ infrared spectroscopic studies

  摘要：

  Deprotonation of 3,5-dichloropyridine using LTMP and BuLi was monitored in real time by infrared spectroscopy. It appeared that the substrate was rapidly deprotonated. Transient structures between the substrate and the lithio derivative were detected. The absorbances recorded for the lithio derivative showed that the structures obtained using LTMP and BuLi were similar. When BuLi was used to deprotonate, a complete deuteration of the lithio derivative was noted upon quenching with D2O. The latter did not allow the quantification of the lithio derivative when LTMP was used, since only partial deuteration was observed. (c) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.098