2,6-Bis((di-t-butylphosphinothioyl)methyl)pyridine | 1616367-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-Bis((di-t-butylphosphinothioyl)methyl)pyridine
• 英文别名: ditert-butyl-[[6-(ditert-butylphosphinothioylmethyl)pyridin-2-yl]methyl]-sulfanylidene-λ5-phosphane
• CAS: 1616367-30-6
• 化学式: C₂₃H₄₃NP₂S₂
• 分子量: 459.681
• InChiKey: FTJNNXBBJOBOSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-Bis((di-t-butylphosphinothioyl)methyl)pyridine 在 四(三苯基膦)钯 、 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 potassium carbonate 、 4,4'-二叔丁基-2,2'-二吡啶 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 69.0h， 生成
  参考文献：
  名称：

  Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum–Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand

  摘要：

  A series of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing 4-substituted PNP-pincer ligands are synthesized by the reduction of the corresponding molybdenum trichloride complexes under 1 atm of molecular dinitrogen. In accordance with a theoretical study, the catalytic activity is enhanced by the introduction of an electron-donating group to the pyridine ring of PNP-pincer ligand, and the complex bearing 4-methoxy-substituted PNP-pincer ligands is found to work as the most effective catalyst, where 52 equiv of ammonia are produced based on the catalyst (26 equiv of ammonia based on each molybdenum atom of the catalyst), together with molecular dihydrogen as a side-product. Time profiles for the catalytic reactions indicate that the rates of the formation of ammonia and molecular dihydrogen depend on the nature of the substituent on the PNP-pincer ligand of the complexes. The formation of ammonia and molecular dihydrogen is complementary in the reaction system.

  DOI：

  10.1021/ja5044243
• 作为产物：
  描述：

  2,6-二甲基吡啶 、 二叔丁基氯化膦 在 正丁基锂 、 四甲基乙二胺 、 sulfur 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 23.0h， 以63%的产率得到2,6-Bis((di-t-butylphosphinothioyl)methyl)pyridine
  参考文献：
  名称：

  Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum–Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand

  摘要：

  A series of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing 4-substituted PNP-pincer ligands are synthesized by the reduction of the corresponding molybdenum trichloride complexes under 1 atm of molecular dinitrogen. In accordance with a theoretical study, the catalytic activity is enhanced by the introduction of an electron-donating group to the pyridine ring of PNP-pincer ligand, and the complex bearing 4-methoxy-substituted PNP-pincer ligands is found to work as the most effective catalyst, where 52 equiv of ammonia are produced based on the catalyst (26 equiv of ammonia based on each molybdenum atom of the catalyst), together with molecular dihydrogen as a side-product. Time profiles for the catalytic reactions indicate that the rates of the formation of ammonia and molecular dihydrogen depend on the nature of the substituent on the PNP-pincer ligand of the complexes. The formation of ammonia and molecular dihydrogen is complementary in the reaction system.

  DOI：

  10.1021/ja5044243