ammonium O,O'-dibenzyl dithiophosphate | 882878-62-8

• 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'-dibenzyl dithiophosphate
• 英文别名: NH4S2P(OCH2Ph)2
• CAS: 882878-62-8
• 化学式: C₁₄H₁₄O₂PS₂*H₄N
• 分子量: 327.408
• InChiKey: VWTKDNYAIRPDNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.96
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ammonium O,O'-dibenzyl dithiophosphate 以 甲苯 为溶剂， 生成 bis[(O,O'-dibenzyl)dithiophosphato]dipyridinecobalt(II)
  参考文献：
  名称：

  双（O，O'-二甲苯基/二苄基二硫代磷酸根）钴（II）与吡啶的加合物的合成和表征：[Co {S2P（OC6H4Me-p）2} 2（C5H5N）2]和[Co {S2P （OC6H4Me-p）2} 2（NH3）]

  摘要：

  具有（Co {S2P（OR）（2）}（2）（C5H5N）（2）类型的吡啶配体的双（O，O'-二甲苯基/二苄基二硫代磷酸根）钴（II）络合物（R = o-，通过CoCl2（C5H5N）（2）与O，O'-二甲苯基/二苄基二硫代磷酸酯的相应铵盐在甲醇中的反应合成了m-，p-C6H4Me，CH2Ph）。这些新合成的加合物通过元素分析，红外，紫外-可见光谱，磁化率测量和单晶X射线衍射进行了表征。这些结构证实，在吡啶络合物中，钴金属中心周围的几何形状是八面体变形的，而在胺络合物中，其几何形状是三角双锥体的变形。（C）2008 Elsevier Ltd.保留所有权利。

  DOI：

  10.1016/j.poly.2008.09.025

文献信息

• Synthesis and Characterization of <i>O,O’</i>-(<i>o-, m-, p-</i>Ditolyl/dibenzyl/diphenyldithiophosphate) Complexes with Cobalt
  作者：Subhash C. Bajia

  DOI：10.1080/15533174.2011.591298

  日期：2011.8.1

  Tris(O,O′-ditolyl/dibenzyl/diphenyldithiophosphato)cobalt(III) complexes (1–5) were synthesized by the reaction of CoCl2·6H2O and NH4S2P(OR)2. Initially, the bis(O,O′-ditolyl/dibenzyl/diphenyldithiophosphato)cobalt(II) complexes were formed, oxidized to their analogous tris complexes. In this study, oxidation rate of individual dithiophosphate ligand were investigated on the basis of physical changes

  三（O，O' -ditolyl /二苄基/ diphenyldithiophosphato）钴（III）配合物（1-5）是由氯化钴的反应合成的2 ·6H 2 O和NH 4小号2 P（OR）2，最初，双（O， O'-二甲苯基/二苄基/二苯基二硫代磷酸酯）钴（II）配合物被氧化为类似的tris配合物。在这项研究中，根据物理变化研究了单个二硫代磷酸酯配体的氧化速率。钴（III）配合物（1-5）的特征在于元素分析，电导率测量，TGA / DSC和光谱技术（红外[IR]，紫外[UV]-可见，1 H-，13 C-和31P-NMR，质量）。实验结果表明，这些配合物与二齿螯合二硫代磷酸酯部分一起扭曲了八面体的几何形状。这些配合物的分子量测定表明它们的单体性质。
• Synthesis, spectroscopic characterization and structural studies of nickel complexes of O,O′-diaryl(dibenzyl) dithiophosphates: Crystal structures of Ni[S2P(OC6H4CH3-o)2]2, Ni[S2P(OC6H4CH3-m)2]2 and Ni[S2P(OCH2Ph)2]2
  作者：Ann L. Bingham、John E. Drake、Mark E. Light、Manisha Nirwan、Raju Ratnani

  DOI：10.1016/j.poly.2005.10.022

  日期：2006.3

  Purple-coloured, tetra-coordinated Ni(II) complexes, Ni[S2P(OR)(2)](2) (R = o-, m-, p-OC6H4Me, Ph and CH2Ph) have been obtained by reaction of NiCl2 with salts of corresponding O,O'-diaryl(dibenzyl) dithiophosphates and have been characterized by elemental analysis, UV, IR, H-1, and P-31 NMR spectroscopy. Trends in the data are discussed. The crystal structures of Ni[S2P(OC6H4Me-o)(2)](2), Ni[S2P(OC6H4Me-m)(2)](2) and Ni[S2P(OCH2Ph)(2)](2) are also described. Ni[S2P(OC6H4Me-o)(2)](2) crystallizes as monoclinic in the space group P2(1)/n with cell parameters a = 9.069(2), b = 13.503(2), c = 23.735(4) angstrom, alpha = 90.00 degrees, beta = 90.11(1)degrees, gamma = 90.00 degrees, V = 2906.6(8) angstrom(-3) Z = 4, R = 0.0351, R-w = 0.0787, Ni[S2P(OC6H4CH3-m)(2)](2) as triclinic in the space group P (1) over bar with cell parameters a = 9,4675(4), b = 12.8568(5), c = 13.1174(6) angstrom, alpha = 88.810(4)degrees, beta = 83.416(5)degrees, gamma = 73.711(4)degrees, V = 1522.4(1) angstrom(-3), Z = 2, R = 0.0354, R-w = 0.0830, and Ni[S2P(OCH2Ph)(2)](2) as triclinic in the space group P (1) over bar with cell parameters a = 10.887(2), b = 14.081(3), c = 16.238(3) angstrom, alpha = 72.70(3)degrees, beta = 76.57(3)degrees, gamma = 72.76(3)degrees, V = 2241.4(8) angstrom(-3), Z = 2, R = 0.0365, R-w = 0.0785. Each of these has a distorted square-planar geometry around nickel with MS4 coordination environment. (c) 2005 Elsevier Ltd. All rights reserved.