3,5,10,12,15,17,22,24,27,29,34,36-Dodecaethyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3,5,10,12,15,17,22,24,27,29,34,36-Dodecaethyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione
• 化学式: C₄₂H₆₀N₁₂S₁₂
• 分子量: 1117.81
• InChiKey: DKZDJMVJGHJJCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  383
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,3,10-Triethyl-8-methylamino-1,3,8,10-tetrahydro-4,5,6,7-tetrathia-1,3,10-triaza-dicyclopenta[a,c]cyclooctene-2,9-dithione 在 sodium methylate 、 air 、 ammonium acetate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以40%的产率得到3,5,10,12,15,17,22,24,27,29,34,36-Dodecaethyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione
  参考文献：
  名称：

  Unusual desulfurization of a nickel dithiolene by bis(2-diphenylphosphinophenyl)phenylphosphine (tp) to produce Ni(tp)(R4btimdt) [R4btimdt = 5,5′-bis(1,3-dialkyl-4-imidazolidine-2-thione-4-thiolate], the first complex of this class of ligands

  摘要：

  本研究描述了一种新型脱硫反应，该反应由三元膦诱导标题二硫代镍产生 S,S-二阴离子标题配体的第一个络合物，该配体属于新型氧化还原活性杂环家族，还描述了该配体的完全氧化三聚体形式。

  DOI：

  10.1039/a906392g

文献信息

• Unusual desulfurization of a nickel dithiolene by bis(2-diphenylphosphinophenyl)phenylphosphine (tp) to produce Ni(tp)(R4btimdt) [R4btimdt = 5,5′-bis(1,3-dialkyl-4-imidazolidine-2-thione-4-thiolate], the first complex of this class of ligands
  作者：Francesco Bigoli、Maria Angela Pellinghelli、Paola Deplano、Maria Laura Mercuri、Gloria Pintus、Emanuele F. Trogu

  DOI：10.1039/a906392g

  日期：——

  A novel desulfurization reaction induced on the title nickel dithiolenes by a tripodal phosphine producing the first complex of the S,S-dianionic title ligand, which belongs to a novel family of redox active heterocycles, and the fully oxidised trimeric form of this ligand are described.

  本研究描述了一种新型脱硫反应，该反应由三元膦诱导标题二硫代镍产生 S,S-二阴离子标题配体的第一个络合物，该配体属于新型氧化还原活性杂环家族，还描述了该配体的完全氧化三聚体形式。