O,O-di(p-tolyl)dithiophosphoric acid ammonium salt | 40783-17-3

• 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: O,O-di(p-tolyl)dithiophosphoric acid ammonium salt
• 英文别名: ammonium O,O'-di-p-tolyl dithiophosphate；ammonium O,O'-p-ditolyl dithiophosphate；NH4S2P(OC6H4Me-p)2；Azanium;bis(4-methylphenoxy)-sulfanylidene-sulfido-lambda5-phosphane；azanium;bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
• CAS: 40783-17-3
• 化学式: C₁₄H₁₄O₂PS₂*H₄N
• 分子量: 327.408
• InChiKey: JVCWEDIWPZJMOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  O,O-di(p-tolyl)dithiophosphoric acid ammonium salt 、 三氯化锑 以 苯 为溶剂， 以90.81%的产率得到antimony(III) tris(O,O-di-p-tolyl phosphorodithioate)
  参考文献：
  名称：

  三（O，O'-二巯基二硫代磷酸）砷/锑/铋（III）化合物的合成及光谱表征：[As {S2P（OC6H4Me-m）2} 3]·0.5C6H14，[Sb {S2P（ OC6H4Me-m）2} 3]和[Bi {S2P（OC6H4Me-m）2} 3]

  摘要：

  [M {S2P（OR）（2）}（3）类型的砷（III），锑（III）和铋（III）化合物（其中M = As，Sb和Bi； R = o-，m -，对-C6H4Me）是通过使MCl3与相应的O，O'-二甲苯基二硫代磷酸酯的铵盐在苯中回流反应而获得的。这些化合物通过元素分析，IR，H-1 NMR和P-31 NMR光谱进行表征。确定了三种代表性化合物的单晶X射线结构。[As {S2P（OC6H4Me-m）（2）}（3）]中心点0.5C（6）H（14）在空间群P（1）上的晶格上结晶为三斜晶，且a = 10.9396（1），b = 14.1891（2），c = 17.5359（2）埃，alpha = 70.731（1），beta = 84.734（1），伽马= 74.205（1）度，Z = 4，V = 2472.37（5）埃（3） 。[Sb {S2P（OC6H4Me-m）（2）}（3）]和[Bi {S

  DOI：

  10.1016/j.poly.2008.12.017
• 作为产物：
  描述：

  O,O-di-p-tolyl hydrogen phosphorodithioate 在 氨 作用下， 以 苯 为溶剂， 生成 O,O-di(p-tolyl)dithiophosphoric acid ammonium salt
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of toluene-3,4-dithiolatoarsenic(III)-O,O’-ditolyl/alkylene dithiophosphate compounds: crystal structure of [CH₃C₆H₃S₂As{S₂P(OC₆H₄Me-m)₂}]

  摘要：

  Toluene-3,4-dithiolate complexes, [CH3C6H3S2As{S2P(OR)(2)}] and [CH(3)C(6)H(3)S(2)AsS(2)POGO] (R = o-, m-, p-C6H4Me; G = -CH2C(CH3)(2)CH2-, -CHCH3CH2(CH3)(2)C-), have been synthesized by reaction of toluene-3,4-dithiolatoarsenic(III) chloride [C6H3(CH3)S2AsCl] with ammonium salts of the corresponding O,O'-ditolyl/alkylene dithiophosphate by refluxing in benzene followed by stirring. These complexes have been characterized by elemental analysis and IR, H-1, and P-31 NMR spectroscopy. Single-crystal X-ray diffraction analysis of [CH3C6H3S2As{S2P(OC6H4Me-m)(2)}] revealed distorted trigonal-bipyramidal geometry with an anisobidentate chelating mode of the ditolyl moiety in these complexes.

  DOI：

  10.1080/00958972.2014.899356

文献信息

• Synthesis and characterization of adducts of bis(O,O′-ditolyl/dibenzyl dithiophosphato)cobalt(II) with pyridine: Crystal structures of [Co{S2P(OC6H4Me-p)2}2(C5H5N)2] and [Co{S2P(OC6H4Me-p)2}2(NH3)]
  作者：Subhash C. Bajia、John E. Drake、Mark E. Light、Manisha Nirwan、Sushil K. Pandey、Raju Ratnani

  DOI：10.1016/j.poly.2008.09.025

  日期：2009.1

  Bis(O,O'-ditolyl/dibenzyl dithiophosphato)cobalt(II) complexes with pyridine ligands of the type [CoS2P(OR)(2)}(2)(C5H5N)(2)] (R = o-, m-, p-C6H4Me, CH2Ph) have been synthesized by the reaction of CoCl2(C5H5N)(2) and the corresponding ammonium salt of O,O'-ditolyl/dibenzyl dithiophosphate in methanol. These newly synthesized adducts were characterized by elemental analysis, IR, UV-Vis spectroscopy

  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。
• 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.
• Synthesis and characterization of binuclear oxomolybdenum(V) and dioxomolybdenum(VI) O,O′-ditolyl dithiophosphate complexes.
  作者：Lalit Awwal、John E. Drake、Michael B. Hursthouse、Ravindra Kumar、Mark E. Light、Raju Ratnani、Keerti Saraswat

  DOI：10.1016/j.poly.2007.04.034

  日期：2007.8

  A series of binuclear oxomolybdenum(V) O,O'-ditolyl dithiophosphate complexes, Mo2O3[S2P(OR)(2)](4) (R = o-, m-, p-C6H4Me) were synthesized by drop wise addition of aqueous solution of the ammonium salt of O,O'-ditolyl dithiophosphoric acid into an acidic solution of sodium molybdate with constant stirring to yield purple solids. Dioxomolybdenum(VI) O,O'-ditolyl dithiophospbate complexes, MoO2[S2P(OR)(2)](2) (R = o-, m-, p-C6H4Me and CH2C6H5) were also synthesized by reducing Mo2O3[S2P(OR)(2)](4) with OPPh3 in benzene to yield yellow solids. These complexes were characterized by elemental analysis and IR, H-1 and P-31 NMR spectroscopy and, in three cases, by X-ray crystallography. In Mo2O3[S2P(OC6H4Me-o)(2)](4) and Mo2O3[S2P(OC6H4Me-m)(2)](4), the environment around each molybdenum atom can be described as the expected distorted octahedral, consisting of one terminal and one bridging oxygen along with the four chelating sulfur atoms of the dithio ligands, with one Mo-S distance being significantly longer than the other three. In MoO2[S2P(OC6H4Me-p)(2)](2) the geometry around the Mo atom is again distorted octahedral with two cis terminal oxygen atoms and two anisobidentate dithiophosphate ligands. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis and spectroscopic characterization of tris(O,O′-ditolyl dithiophosphato) arsenic/antimony/bismuth(III) compounds: Crystal structures of [As{S2P(OC6H4Me-m)2}3]·0.5C6H14, [Sb{S2P(OC6H4Me-m)2}3] and [Bi{S2P(OC6H4Me-m)2}3]
  作者：Seema Maheshwari、John E. Drake、Kavita Kori、Mark E. Light、Raju Ratnani

  DOI：10.1016/j.poly.2008.12.017

  日期：2009.3

  Arsenic(III), antimony(III) and bismuth(III) compounds of the type, [MS2P(OR)(2)}(3)] (where M = As, Sb and Bi; R = o-, m-, p-C6H4Me) were obtained by reactions of MCl3 with ammonium salts of the corresponding O,O'-ditolyl dithiophosphate on refluxing in benzene. These compounds were characterized by elemental analysis, IR, H-1 NMR and P-31 NMR spectroscopy. The single crystal X-ray structures of

  [M S2P（OR）（2）}（3）类型的砷（III），锑（III）和铋（III）化合物（其中M = As，Sb和Bi； R = o-，m -，对-C6H4Me）是通过使MCl3与相应的O，O'-二甲苯基二硫代磷酸酯的铵盐在苯中回流反应而获得的。这些化合物通过元素分析，IR，H-1 NMR和P-31 NMR光谱进行表征。确定了三种代表性化合物的单晶X射线结构。[As S2P（OC6H4Me-m）（2）}（3）]中心点0.5C（6）H（14）在空间群P（1）上的晶格上结晶为三斜晶，且a = 10.9396（1），b = 14.1891（2），c = 17.5359（2）埃，alpha = 70.731（1），beta = 84.734（1），伽马= 74.205（1）度，Z = 4，V = 2472.37（5）埃（3） 。[Sb S2P（OC6H4Me-m）（2）}（3）]和[Bi S