Ammonium O,O-dicyclohexyl phosphorodithioate | 66542-75-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机二硫代磷酸及其衍生物
• 英文名称: Ammonium O,O-dicyclohexyl phosphorodithioate
• 英文别名: azanium;dicyclohexyloxy-sulfanylidene-sulfido-λ5-phosphane
• CAS: 66542-75-4
• 化学式: C₁₂H₂₂O₂PS₂*H₄N
• 分子量: 311.45
• InChiKey: MCVYKXBVLNBJNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯仿 、 烟醛(3-吡啶亚甲基)腙 、 cadmium(II) sulfate*8/3H2O 、 Ammonium O,O-dicyclohexyl phosphorodithioate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Delineating the principles controlling polymer formation and topology in zinc(II)- and cadmium(II)-dithiophosphate adducts of diimine-type ligands

  摘要：

  The crystal structure determination of polymeric [Cd(S2P(OCY)(2))(2)(3-NC5H4C(H)=NN=C(H)C5H4N-3). (CHCl3)(2)](infinity), where Cy is cyclohexyl and the bridging ligand is 3-pyridinealdazine, shows that the cadmium atom exists within a trans-N2S4 donor set and that the resultant polymer topology is of a step-ladder. It is argued that this is the expected structure for the compound as it concurs with the structure of the related iso-propyl derivative. Indeed, in most cases polymer topology in related cadmium dithiophosphate systems is controlled by the nature of the bridging diimine-type ligand. By contrast, in the analogous zinc dithiophosphate adducts, controlling polymer topology is possible by systematically varying the steric profile of the dithiophosphate-bound R groups, a phenomenon ascribed to the fact that in the zinc system, the zinc-ligand distances being shorter, bring all the components of the structure in close proximity and thereby exacerbates steric effects. An overview of our accomplishments in this area 'crystal engineering of coordination polymers' is presented herein. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.03.036

文献信息

• OLEFIN POLYMERIZATION CATALYST
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0798313B1

  公开（公告）日：2001-03-21
• US6214954B1
  申请人：——

  公开号：US6214954B1

  公开（公告）日：2001-04-10
• Delineating the principles controlling polymer formation and topology in zinc(II)- and cadmium(II)-dithiophosphate adducts of diimine-type ligands
  作者：Chian Sing Lai、Edward R.T. Tiekink

  DOI：10.1016/j.molstruc.2006.03.036

  日期：2006.8

  The crystal structure determination of polymeric [Cd(S2P(OCY)(2))(2)(3-NC5H4C(H)=NN=C(H)C5H4N-3). (CHCl3)(2)](infinity), where Cy is cyclohexyl and the bridging ligand is 3-pyridinealdazine, shows that the cadmium atom exists within a trans-N2S4 donor set and that the resultant polymer topology is of a step-ladder. It is argued that this is the expected structure for the compound as it concurs with the structure of the related iso-propyl derivative. Indeed, in most cases polymer topology in related cadmium dithiophosphate systems is controlled by the nature of the bridging diimine-type ligand. By contrast, in the analogous zinc dithiophosphate adducts, controlling polymer topology is possible by systematically varying the steric profile of the dithiophosphate-bound R groups, a phenomenon ascribed to the fact that in the zinc system, the zinc-ligand distances being shorter, bring all the components of the structure in close proximity and thereby exacerbates steric effects. An overview of our accomplishments in this area 'crystal engineering of coordination polymers' is presented herein. (c) 2006 Elsevier B.V. All rights reserved.