10-(4,5-bis(decylthio)-1,3-dithiol-2-ylidene)anthracen-9(10H)-one | 1009807-06-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 10-(4,5-bis(decylthio)-1,3-dithiol-2-ylidene)anthracen-9(10H)-one
• 英文别名: 10-[4,5-Bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-one；10-[4,5-bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-one
• CAS: 1009807-06-0
• 化学式: C₃₇H₅₀OS₄
• 分子量: 639.067
• InChiKey: NHVWVRJHGUSZLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  42
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  10-(4,5-bis(decylthio)-1,3-dithiol-2-ylidene)anthracen-9(10H)-one 、 四溴化碳 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到4,5-bis(decylthio)-2-(10-(dibromomethylene)anthracen-9(10H)-ylidene)-1,3-dithiole
  参考文献：
  名称：

  Highly π-Extended TTF Analogues with a Conjugated Macrocyclic Enyne Core

  摘要：

  The synthesis of a class of highly pi-extended tetrathiafulvalene derivatives (11 a and 1b) was explored using Sonogashira macrocyclization as a key step. The solid-state structure of 1b was characterized by X-ray single crystallography, showing a substantially bent, S-shaped molecular backbone and an ordered packing geometry in a pi-alkyl-alkyl-pi stacking fashion. Electronic and redox properties of 1b were investigated by UV-vis absorption, fluorescence spectroscopy, and cyclic voltammetry.

  DOI：

  10.1021/ol703038m
• 作为产物：
  描述：

  蒽醌 、 4,5-bis(decylthio)-1,3-dithiole-2-thione 在 亚磷酸三乙酯 作用下， 以 xylene 为溶剂， 以49%的产率得到10-(4,5-bis(decylthio)-1,3-dithiol-2-ylidene)anthracen-9(10H)-one
  参考文献：
  名称：

  Highly π-Extended TTF Analogues with a Conjugated Macrocyclic Enyne Core

  摘要：

  The synthesis of a class of highly pi-extended tetrathiafulvalene derivatives (11 a and 1b) was explored using Sonogashira macrocyclization as a key step. The solid-state structure of 1b was characterized by X-ray single crystallography, showing a substantially bent, S-shaped molecular backbone and an ordered packing geometry in a pi-alkyl-alkyl-pi stacking fashion. Electronic and redox properties of 1b were investigated by UV-vis absorption, fluorescence spectroscopy, and cyclic voltammetry.

  DOI：

  10.1021/ol703038m

文献信息

• Highly π-Extended TTF Analogues with a Conjugated Macrocyclic Enyne Core
  作者：Guang Chen、Li Wang、David W. Thompson、Yuming Zhao

  DOI：10.1021/ol703038m

  日期：2008.2.1

  The synthesis of a class of highly pi-extended tetrathiafulvalene derivatives (11 a and 1b) was explored using Sonogashira macrocyclization as a key step. The solid-state structure of 1b was characterized by X-ray single crystallography, showing a substantially bent, S-shaped molecular backbone and an ordered packing geometry in a pi-alkyl-alkyl-pi stacking fashion. Electronic and redox properties of 1b were investigated by UV-vis absorption, fluorescence spectroscopy, and cyclic voltammetry.