2-methyl-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene | 664323-52-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
• 英文别名: diphenyl-sulfanylidene-[1-(2,4,6-tritert-butylphenyl)phosphanylideneethyl]-λ5-phosphane
• CAS: 664323-52-8
• 化学式: C₃₂H₄₂P₂S
• 分子量: 520.699
• InChiKey: VKFHYSGFJZLPQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (E)-2-methyl-3,3-diphenyl-1-(2,4,6-tri-t-butylphenyl)-1,3-diphosphapropene 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以91%的产率得到2-methyl-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
  参考文献：
  名称：

  制备和配位性能，包括大体积的2-甲基-3-硫代-1,3-二磷丙烯的催化活性。

  摘要：

  [反应：请参见文本] 2-甲基-3,3-二苯基-3-硫代氧杂-1-（2,4,6-三叔丁基苯基）-1,3-二磷丙烯e带有P = CP =制备了S骨架，并将其用作过渡金属配合物的配体。包含已连接的3-thioxo-1,3-diphophapropene的钯配合物是稳定的，可用于催化反应，例如交叉偶联和烯丙醇直接转化为烯丙基苯胺。

  DOI：

  10.1021/ol036330g

文献信息

• 1,3-Diphosphapropenes for novel chemistry of metal complexes
  作者：Shigekazu Ito、Hongze Liang、Masaaki Yoshifuji

  DOI：10.1016/j.jorganchem.2004.09.045

  日期：2005.5

  2-Methyl-3,3-diphenyl-l-(2,4,6-tri-t-butylphenyl)-1,3-diphosphapropene was obtained as a chelate ligand for palladium(II) and platinum(II) complexes. Sulfurization of 2-methyl-1,3-diphosphapropene mainly gave 3-thioxo-1,3-diphosphapropene which bears a P=C-P=S skeleton and was used as a ligand of transition-metal complexes. A doubly-sulfurized product of the 1,3-diphosphapropene, 1,3-dithioxo-1,3-diphosphapropene, was isolated and characterized. The palladium(II) complexes containing the ligated 1,3-diphosphapropenes were used for catalytic reactions such as cross-couplings and direct conversion of allyl alcohol to allylaniline. (c) 2004 Elsevier B.V. All rights reserved.
• Preparation and Coordination Properties Including Catalytic Activities of a Bulky 2-Methyl-3-thioxo-1,3-diphosphapropene
  作者：Hongze Liang、Shigekazu Ito、Masaaki Yoshifuji

  DOI：10.1021/ol036330g

  日期：2004.2.1

  [reaction: see text] 2-Methyl-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropen e, which bears a P=C-P=S skeleton, was prepared and used as a ligand of transition-metal complexes. The palladium complexes containing the ligated 3-thioxo-1,3-diphophapropene were stable and used for catalytic reactions such as cross-couplings and direct conversion of allyl alcohol to allylaniline

  [反应：请参见文本] 2-甲基-3,3-二苯基-3-硫代氧杂-1-（2,4,6-三叔丁基苯基）-1,3-二磷丙烯e带有P = CP =制备了S骨架，并将其用作过渡金属配合物的配体。包含已连接的3-thioxo-1,3-diphophapropene的钯配合物是稳定的，可用于催化反应，例如交叉偶联和烯丙醇直接转化为烯丙基苯胺。