methyl(2-(pyren-1-yl)phenyl)sulfane | 1527009-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: methyl(2-(pyren-1-yl)phenyl)sulfane
• 英文别名: 1-(2-Methylsulfanylphenyl)pyrene
• CAS: 1527009-88-6
• 化学式: C₂₃H₁₆S
• 分子量: 324.446
• InChiKey: YQRMQLQJUVSWKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methyl(2-(pyren-1-yl)phenyl)sulfane 在 双氧水 、 溶剂黄146 作用下， 反应 12.0h， 生成 1-(2-(methylsulfinyl)phenyl)pyrene
  参考文献：
  名称：

  Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene–Thienoacenes

  摘要：

  Three regioisomeric sulfur-bridged pyrene-thienoacenes (PTAs) have been synthesized. The crystal structures and optoelectronic properties of these ring-fused PTAs and their ring-opened precursors have been fully investigated. Among these isomers, the [3,4]-extended compound (4-S-PTA) shows the most pronounced spectral red-shift and highest quantum yield as well as large transistor mobility.

  DOI：

  10.1021/ol402971n
• 作为产物：
  描述：

  芘 在 四(三苯基膦)钯 、 氢溴酸 、 双氧水 、 sodium carbonate 作用下， 以 乙醚 、 水 、 甲苯 为溶剂， 反应 24.0h， 生成 methyl(2-(pyren-1-yl)phenyl)sulfane
  参考文献：
  名称：

  Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene–Thienoacenes

  摘要：

  Three regioisomeric sulfur-bridged pyrene-thienoacenes (PTAs) have been synthesized. The crystal structures and optoelectronic properties of these ring-fused PTAs and their ring-opened precursors have been fully investigated. Among these isomers, the [3,4]-extended compound (4-S-PTA) shows the most pronounced spectral red-shift and highest quantum yield as well as large transistor mobility.

  DOI：

  10.1021/ol402971n

文献信息

• Experimental and Computational Studies on the Directing Ability of Chalcogenoethers in Palladium‐Catalyzed Atroposelective C−H Olefination and Allylation
  作者：Gang Liao、Tao Zhang、Liang Jin、Bing‐Jie Wang、Cheng‐Kai Xu、Yu Lan、Yu Zhao、Bing‐Feng Shi

  DOI：10.1002/anie.202115221

  日期：2022.3

  of chalcogenoether motifs in Pd-catalyzed atroposelective C−H olefination and allylation are presented. The thioether motif was found to be a superior directing group compared to the corresponding ether (−OR) and selenoether in terms of reactivity and enantiocontrol. The selenoether unit (−SeMe) was used for the first time as a suitable directing group in asymmetric C−H activation.

  介绍了硫族醚基序在 Pd 催化的阻转选择性 C-H 烯化和烯丙基化中的导向能力的实验和计算研究。就反应性和对映体控制而言，发现硫醚基序与相应的醚（-OR）和硒醚相比是一个优越的导向基团。硒醚单元（-SeMe）首次被用作不对称 C-H 活化中的合适导向基团。