4-[2-[4-[2-(4-Ethynyl-3-methylphenyl)ethynyl]phenyl]sulfanylethyl]pyridine | 207724-69-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-[2-[4-[2-(4-Ethynyl-3-methylphenyl)ethynyl]phenyl]sulfanylethyl]pyridine
• CAS: 207724-69-4
• 化学式: C₂₄H₁₉NS
• 分子量: 353.488
• InChiKey: JUIQWJLQSMHABN-UHFFFAOYSA-N

物化性质

• 沸点：
  540.0±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[2-[4-[2-(4-Ethynyl-3-methylphenyl)ethynyl]phenyl]sulfanylethyl]pyridine 在 copper(l) iodide 、 四丁基氟化铵 、 二异丙胺 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 33.0h， 生成 4-[2-[4-[2-[4-[2-[4-[2-(4-Ethynyl-2,5-dipropoxyphenyl)ethynyl]phenyl]ethynyl]-3-methylphenyl]ethynyl]phenyl]sulfanylethyl]pyridine
  参考文献：
  名称：

  Soluble Ferrocene Conjugates for Incorporation into Self-Assembled Monolayers

  摘要：

  A series of phenylethynyl oligomers (I-V) possessing a ferrocene and thiol at each termini have been synthesized. These oligomers have been designed to overcome the inherent insolubility of this class of complexes by substitution at the phenyl groups with methyl and propoxy substituents. Several new reactions for preparing arenethiol-protected compounds are described. Interestingly, the generation of an arenethiol anion during base- or fluoride-catalyzed deprotection has been characterized.

  DOI：

  10.1021/jo982392m
• 作为产物：
  描述：

  2-methyl-4-iodoacetophenone 在 copper(l) iodide 、 四丁基氟化铵 、 氯磷酸二乙酯 、 二异丙胺 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.75h， 生成 4-[2-[4-[2-(4-Ethynyl-3-methylphenyl)ethynyl]phenyl]sulfanylethyl]pyridine
  参考文献：
  名称：

  Soluble Ferrocene Conjugates for Incorporation into Self-Assembled Monolayers

  摘要：

  A series of phenylethynyl oligomers (I-V) possessing a ferrocene and thiol at each termini have been synthesized. These oligomers have been designed to overcome the inherent insolubility of this class of complexes by substitution at the phenyl groups with methyl and propoxy substituents. Several new reactions for preparing arenethiol-protected compounds are described. Interestingly, the generation of an arenethiol anion during base- or fluoride-catalyzed deprotection has been characterized.

  DOI：

  10.1021/jo982392m