1-(2-Propan-2-ylsulfanylnaphthalen-1-yl)naphthalene-2-thiol | 185606-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(2-Propan-2-ylsulfanylnaphthalen-1-yl)naphthalene-2-thiol
• CAS: 185606-56-8
• 化学式: C₂₃H₂₀S₂
• 分子量: 360.544
• InChiKey: YUUPCBOFPMFFEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二(氰基苯)二氯化钯 、 1-(2-Propan-2-ylsulfanylnaphthalen-1-yl)naphthalene-2-thiol 以 甲苯 为溶剂， 以99%的产率得到di-[chloro(2-thiol-2'-(isopropylthioether)-1,1'-binapthyl)palladium(II)]
  参考文献：
  名称：

  High-branched selectivity in the palladium-catalysed alkoxycarbonylation of styrene in the presence of thiol–thioether atropisomeric ligands

  摘要：

  New mononuclear and dinuclear palladium complexes containing one neutral and one anionic sulfur donor centre derived from the atropisomeric thiol-thioether derivative 3 (RHbinas) were prepared and characterized both in solution and in the solid state. Crystal structures of [PdCl(Mebinas)](2) (4) and [PdCl(Mebinas)(PPh3)] (6) were determined by X-ray diffraction. In the presence of triphenylphosphine and oxalic acid, the new complexes are active catalysts for the hydrocarboxylation of styrene, showing a high regioselectivity towards the branched product under mild conditions (up to 97% of 2-phenylpropanoic acid). (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(98)00383-5