Diethyl-dithiocarbamic acid 2-oxo-propyl ester | 4051-36-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 二硫代氨基甲酸及其衍生物
• 英文名称: Diethyl-dithiocarbamic acid 2-oxo-propyl ester
• 英文别名: 2-oxopropyl N,N-diethylcarbamodithioate
• CAS: 4051-36-9
• 化学式: C₈H₁₅NOS₂
• 分子量: 205.345
• InChiKey: AVLBQYBZGPCNOS-UHFFFAOYSA-N

物化性质

• 沸点：
  124-127 °C(Press: 2 Torr)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Diethyl-dithiocarbamic acid 2-oxo-propyl ester 、 若丹明B酰肼 以 苯 为溶剂， 反应 24.0h， 以77%的产率得到
  参考文献：
  名称：

  Rhodamine spirolactam sensors operated by sulfur-cooperated metal complexation

  摘要：

  New rhodamine Schiff base sensors were developed to improve selective sensing by introducing sulfide, ester, and dithiocarbonate groups, as well as using ketones coupled to rhodamine-hydrazine. Metal sensing proceeded through the 1:1 complexation of the metal ion for most sensors in the presence of Cu2+ and Hg2+. A sensor carrying a dithiocarbonate group responded selectively to Hg2+ showing a strong colorimetric change and intense fluorescence. The association constants of the sensors were determined from a linear plot performed at micro-molar concentrations to afford values in the range of 10(4). Sensing was interrupted at the initial time of Hg2+ exposure due to the isomerization of imine and preferential metal bonding of two dithiocarbonate groups regardless of the main structure of rhodamine. The sensors exhibited the reversible and reproducible performance for Hg2+ sensing. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2017.07.019
• 作为产物：
  描述：

  sodium N,N-diethyldithiocarbamate 、 一氯丙酮 以 丙酮 为溶剂， 反应 1.0h， 以95%的产率得到Diethyl-dithiocarbamic acid 2-oxo-propyl ester
  参考文献：
  名称：

  Rhodamine spirolactam sensors operated by sulfur-cooperated metal complexation

  摘要：

  New rhodamine Schiff base sensors were developed to improve selective sensing by introducing sulfide, ester, and dithiocarbonate groups, as well as using ketones coupled to rhodamine-hydrazine. Metal sensing proceeded through the 1:1 complexation of the metal ion for most sensors in the presence of Cu2+ and Hg2+. A sensor carrying a dithiocarbonate group responded selectively to Hg2+ showing a strong colorimetric change and intense fluorescence. The association constants of the sensors were determined from a linear plot performed at micro-molar concentrations to afford values in the range of 10(4). Sensing was interrupted at the initial time of Hg2+ exposure due to the isomerization of imine and preferential metal bonding of two dithiocarbonate groups regardless of the main structure of rhodamine. The sensors exhibited the reversible and reproducible performance for Hg2+ sensing. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2017.07.019

文献信息

• US4076814A
  申请人：——

  公开号：US4076814A

  公开（公告）日：1978-02-28
• Rhodamine spirolactam sensors operated by sulfur-cooperated metal complexation
  作者：Gisuk Heo、Dahye Lee、Chi Gwan Kim、Jung Yun Do

  DOI：10.1016/j.saa.2017.07.019

  日期：2018.1

  New rhodamine Schiff base sensors were developed to improve selective sensing by introducing sulfide, ester, and dithiocarbonate groups, as well as using ketones coupled to rhodamine-hydrazine. Metal sensing proceeded through the 1:1 complexation of the metal ion for most sensors in the presence of Cu2+ and Hg2+. A sensor carrying a dithiocarbonate group responded selectively to Hg2+ showing a strong colorimetric change and intense fluorescence. The association constants of the sensors were determined from a linear plot performed at micro-molar concentrations to afford values in the range of 10(4). Sensing was interrupted at the initial time of Hg2+ exposure due to the isomerization of imine and preferential metal bonding of two dithiocarbonate groups regardless of the main structure of rhodamine. The sensors exhibited the reversible and reproducible performance for Hg2+ sensing. (C) 2017 Elsevier B.V. All rights reserved.