2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl-N,N-dimethyldithiocarbamate | 780786-21-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl-N,N-dimethyldithiocarbamate
• 英文别名: [2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl] N,N-dimethylcarbamodithioate
• CAS: 780786-21-2
• 化学式: C₁₁H₁₁I₂NO₂S₂
• 分子量: 507.155
• InChiKey: WUISXWJGLAEHLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl-N,N-dimethyldithiocarbamate 在 甲烷磺酸 、 四磷十氧化物 、 高氯酸 作用下， 以 水 为溶剂， 反应 0.5h， 以92%的产率得到2-(dimethylamino)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-dithiol-2-ylium perchlorate
  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
• 作为产物：
  描述：

  2-bromo-1-(3',5'-diiodo-2'-hydroxyphenyl)-1-ethanone 、 sodium dimethyldithiocarbamate 以 水 、 丙酮 为溶剂， 反应 0.17h， 以72%的产率得到2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl-N,N-dimethyldithiocarbamate
  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.