4,6-diiodo-2-[5-methyl-2-(morpholin-4-yl)-1,3-dithiol-2-ylium-4-yl]phenolate | 1186304-98-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,6-diiodo-2-[5-methyl-2-(morpholin-4-yl)-1,3-dithiol-2-ylium-4-yl]phenolate
• 英文别名: 4,6-Diiodo-2-[5-methyl-2-(morpholin-4-yl)-1,3-dithiol-2-ylium-4-yl]phenolate；2,4-diiodo-6-(5-methyl-2-morpholin-4-ium-4-ylidene-1,3-dithiol-4-yl)phenolate
• CAS: 1186304-98-2
• 化学式: C₁₄H₁₃I₂NO₂S₂
• 分子量: 545.204
• InChiKey: DLUFIWNNHRBVSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  85.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(2-hydroxy-3,5-diiodophenyl)-5-methyl-2-(morpholin-4-yl)-1,3-dithiol-2-ylium perchlorate 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 2.0h， 以100%的产率得到4,6-diiodo-2-[5-methyl-2-(morpholin-4-yl)-1,3-dithiol-2-ylium-4-yl]phenolate
  参考文献：
  名称：

  Solvatochromism of mesoionic iodo(1,3-dithiol-2-ylium-4-yl)phenolates

  摘要：

  Novel mesoionic phenolates were synthesized via 4-hydroxyaryl-1,3-dithiolium salts and characterized spectroscopically by UV-Vis. The batho-chromic effect induced by iodine substituents was investigated for several solvents. A negative solvatochromism was recorded for the intramolecular charge transfer absorption band.

  DOI：

  10.1007/s00706-008-0944-y

文献信息

• Solvatochromism of mesoionic iodo(1,3-dithiol-2-ylium-4-yl)phenolates
  作者：Lucian M. Birsa、Luliean V. Asaftei

  DOI：10.1007/s00706-008-0944-y

  日期：2008.12

  Novel mesoionic phenolates were synthesized via 4-hydroxyaryl-1,3-dithiolium salts and characterized spectroscopically by UV-Vis. The batho-chromic effect induced by iodine substituents was investigated for several solvents. A negative solvatochromism was recorded for the intramolecular charge transfer absorption band.