4,5-(P(S)Ph2)2tzH | 436845-36-2

• 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: 4,5-(P(S)Ph2)2tzH
• 英文别名: 4,5-Bis(diphenylthiophosphoryl)-1,2,3-triazole；(5-diphenylphosphinothioyl-2H-triazol-4-yl)-diphenyl-sulfanylidene-λ5-phosphane
• CAS: 436845-36-2；1170658-25-9
• 化学式: C₂₆H₂₁N₃P₂S₂
• 分子量: 501.552
• InChiKey: QABDMXMAGTVSMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-(P(S)Ph2)2tzH 、 三异丁基铝 以 甲苯 为溶剂， 以86%的产率得到(Al(iBu)2)(Al(iBu)3)(κ2N,S:κN'-4,5-(P(S)Ph2)2tz)
  参考文献：
  名称：

  Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands

  摘要：

  Equimolar and excess ratio reactions of IME3 and (IBu3)-Bu-i With the ligands 4,5-(P(E)Ph-2)(2t) (t =1,2,3-tria ole; E =O (1), S (2), Se(3)) were performed, showing a vast variety of coordination modes. The products obtained, Ir-2 k(2)-O,O'-[4,5-(P(O)Ph-2)(2)t (R = Me (4) Bu-i (5)), [AiR(2) k(3)-N,N', S-[4,5-(P(S)Ph-2)(2)t (mu-t)(2) (R = Me (6) R = Bu-i(7)), [AiMe(2) k(2)-N, Se-[4,5-(P(Se)Ph-2)(2)t (8), [Al{k(2)-N,Se-[4,5-(P(Se)Ph-2)(2)t 3(9), [AiR(2) k(2)-O,O'-[4,5-(P(O)- Ph-2)(2)t -(N'-AiR(3)) (R = Me (10), 'Bu (11)), and [AiR(2) k(2)-N,S-[4,5-(P(S)Ph-2)(2)t -(N-AiR(3)) (R = Me (12), R = iBu (13)) were characteri ed by spectroscopic methods, and the structures of 1, 4, 6, 7, 9, 10, and 12 were obtained through X-ray diffraction studies. Theoretical calculations were performed on the deprotonated ligands and on selected compounds to obtain information regarding the coordination variety observed for these compounds.

  DOI：

  10.1021/ic900166u

文献信息

• Group 4 complexes supported by nitrogen-rich heterocycles bearing chalcogen donor atoms
  作者：Erandi Bernabé-Pablo、Azucena Campirán-Martínez、Vojtech Jancik、Diego Martínez-Otero、Mónica Moya-Cabrera

  DOI：10.1016/j.poly.2015.08.004

  日期：2016.5

  (8)]. The reaction of M(NR2)4 (M = Zr, Hf, R = Me, Et) with 1 and 2 failed. However, the zirconium and hafnium disubstituted complexes, [M(NR2)2κ2-N,E-(4,5-(P(E)Ph2)2tz}2] [M = Zr, E = S, R = Me (11), Et (12); M = Hf, E = S, R = Me (13), Et (14); M = Zr, E = Se, R = Et (15); M = Hf, E = Se, R = Et (16)] were obtained from the silylated derivatives [SiMe3κ1-N-(4,5-(P(E)Ph2)2tz}] [E = S(9), Se(10)] and

  摘要配体[H 4,5-（P（E）Ph2）2tz}]的等摩尔和过量比率反应[tz = 1,2,3-三唑; E = S（1），Se（2）]与Ti（NR2）4（R = Me，Et）生成双取代的配合物[Ti（NR2）2 κ2-N，E-（4,5-（P（ E）Ph2）2tz} 2] [E = S，R = Me（3），Et（4）； E = Se，R = Me（5），Et（6）]，而1和2的反应与Ti（NEt2）2Cl2得到单取代的配合物[Ti（NEt2）Cl2 κ2-N，E-（4,5-（P（E）Ph2）2tz}] [E = S（7），Se（8）] 。M（NR2）4（M = Zr，Hf，R = Me，Et）与1和2的反应失败，但是锆和ha双取代的配合物[M（NR2）2 κ2-N，E- （4,5-（P（E）Ph2）2tz} 2] [M = Zr，E = S，R = Me（11），Et（12）； M =
• Metal-directed self-assembly of transition metal heterometallascorpionates
  作者：Jesús Pastor-Medrano、Francisco R. Rodríguez-Raya、Erandi Bernabé-Pablo、Daniel A. Mireles-Chávez、Vojtech Jancik、Diego Martínez-Otero、Mónica Moya-Cabrera

  DOI：10.1039/c9dt00683d

  日期：——

  The heterobimetallic complexes [Co(LtzE)3K(THF)2] [LtzE = [4,5-(P(E)Ph2)2}tz]−; tz = 1,2,3-triazole; E = S(3), Se(4)] featuring high-spin cobalt centres, and [Ni(LtzE)3K(THF)2] [E = S(5), Se(6)] were synthesized through the self-assembly reaction of HLtzE [E = S(1), Se(2)], KOH or K0 and MCl2 (M = Co, Ni). Compounds 3–6 exhibit an unusual metallascorpionate-type anion formed by the coordination of

  双核配合物[CO（L梓）3 K（THF）2 ] [L梓= [4,5-（P（E）PH 2）2 } TZ] - ; tz = 1,2,3-三唑; E = S（3），Se（4）]具有高自旋钴中心，[Ni（L tzE）3 K（THF）2 ] [E = S（5），Se（6）]通过自组装反应的HL tzE [E = S（1），Se（2）]，KOH或K 0和MCl 2（M = Co，Ni）。化合物3–6表现出通过三个三唑单元协调形成一个不寻常的metallascorpionate型阴离子经由一个κ 2 - Ñ，Ë通过κ模式到过渡金属原子，并且该阴离子进一步坐标钾阳离子3 - Ñ '，Ñ ' '，N '''时尚。化合物3和5用于合成3d金属杂金属锂酸盐[M（L tzS）3 Cu（PPh 3）] [M = Co，（7），M = Ni（8）]和双金属配合物[Ni（ L tzE）3Ni（NO 3）（THF）]
• Synthesis and structural study of divalent Cu, Zn, Cd and Pd complexes supported by 1,2,3-triazole-based chalcogen ligands
  作者：Jesús Pastor-Medrano、Vojtech Jancik、Erandi Bernabé-Pablo、Diego Martínez-Otero、Marisol Reyes-Lezama、T. Jesús Morales-Juárez

  DOI：10.1016/j.ica.2013.11.039

  日期：2014.3

  complexes of the type [M4,5-(P(E)Ph2)2tz}2(thf)n] [tz = 1,2,3-triazole; M = Cu, n = 2, E = S(3); M = Cu, n = 0, E = Se(4); M = Zn, n = 2, E = S(5); M = Cd, n = 2, E = S(7), Se(8); M = Pd, n = 0, E = S(9), Se(10)] and [Zn24,5-(P(Se)Ph2)2(tz)}4](6) were obtained by reacting [K4,5-(P(E)Ph2)2tz}] with MX2 (M = Cu, Zn, Cd, X = Cl or M = Pd, X = AcO) in a 2:1 M ratio. The structures of these compounds were

  [M 4,5-（P（E）Ph 2）2 tz} 2（thf）n ]类型的过渡金属配合物[tz = 1,2,3-三唑; M ＝ Cu，n  ＝ 2，E ＝ S（3）；M ＝ Cu，n＝ 2，E ＝ S（3）。M ＝ Cu，n  ＝ 0，E ＝ Se（4）；M ＝ Cu，n＝ 0，E ＝ Se（4）。M ＝ Zn，n  ＝ 2，E ＝ S（5）；M ＝ Zn，n＝ 2，E ＝ S（5）。M = Cd，n  = 2，E = S（7），Se（8）; M = Pd，n  = 0，E = S（9），Se（10）]和[Zn 2 4,5-（P（Se）Ph 2）2（tz）} 4 ]（6）是通过[K 4,5-（P（E）Ph 2）2 tz}]与MX 2（M = Cu，Zn，Cd，X = Cl或M = Pd，X = AcO）在2：1 M的比例。这些化合物的结构通过IR，1 H和31 P NMR光谱以及元素分析进行​​了研究。的分子结构3，4，5
• Molybdenum(VI) complexes supported by chalcogen-based 1,2,3-triazoles
  作者：Luis Felipe Villanueva-Sánchez、Ana Cristina García-Álvarez、Azucena Campirán-Martínez、Vojtech Jancik、Diego Martínez-Otero、José G. Alvarado-Rodríguez、Mónica Moya-Cabrera

  DOI：10.1016/j.poly.2016.08.019

  日期：2016.11

  The monosubstituted complex [MoO2Cl2kappa(2)-O,O'-4,5-(P(O)Ph-2)(2)tzH}}] (tz = 1,2,3-triazole) (4) and [Mo((NBu)-Bu-t)(2)kappa(2)-N,S-4,5-(P(S)Ph2)(2)tz}}(2)] (12), and the disubstituted complexes, [MoO((NBu)-Bu-t)[kappa(2)-O,N-4,5-(P(O)Ph-2)(2)tz}}(2)] (8) and [Mo((NBU)-B-t)(2)kappa(2)-N,E4,5-(P(E)Ph-2)(2)tz}}(2)] [E = O(9), S(10), Se(11)] were prepared using the corresponding ligands [(4,5-(P(E)Ph-2)(2)tz}H] [E = O(1), S(2), Se(3)] and molybdenum precursors, MoXYCl2(dme) (X = Y = O; X = O, Y = (NBu)-Bu-t; X = Y = (NBu)-Bu-t, dme = dimethoxyethane). The disubstituted complexes 4, 8, 9 and 11 were obtained regardless of the ligandimetal ratio used in the reaction (1:1 or 2:1). Complexes 8 and 9 exhibit one type of geometric isomer in solution while 10 and 11 show two types of isomers in solution. In these compounds at least one isomer with C-2 symmetry is observed. Complexes 4, 8, 9 and 10 were characterized by X-ray diffraction analysis. (C) 2016 Elsevier Ltd. All rights reserved.
• Unusual In₂N₄ Cores in Complexes Containing Triazole-Based Chalcogen−Phosphoranyl Ligands
  作者：Mónica Moya-Cabrera、Vojtech Jancik、Rafael A. Castro、Regine Herbst-Irmer、Herbert W. Roesky

  DOI：10.1021/ic051567p

  日期：2006.6.1

  The 4,5-bis(diphenylphosphoranyl)-1,2,3-triazole[4,5-(P(E)Ph-2)(2)tz] derivatives of indium kappa(3)-N,N',E-[4,5-(P(E)Ph-2)(2)-(mu-tz)]InMe2}(2) (E) O(2), S(3), Se(4) were prepared in good yield. In addition, compound 5 (E = O, E' = Se) was obtained from 4 through the replacement of a selenium atom in the P-Se(In) moiety by an oxygen atom, giving the mixed-chalcogen complex. The crystal structures of 2 and 5 exhibit a central C4In2N6O2P4 core with an almost planar arrangement (mean deviation = 0.019 and 0.042 angstrom for 2 and 0.100 angstrom for 5), while the C4In2N6S2P4 core in 3 is nonplanar (mean deviation = 0.223 angstrom).