trans-[Pd((t-Bu)2NHCSNHP(O)(O-iPr)2)2Cl2] | 1042049-58-0

• 英文名称: trans-[Pd((t-Bu)2NHCSNHP(O)(O-iPr)2)2Cl2]
• CAS: 1042049-58-0；1041692-47-0
• 化学式: C₂₂H₅₀Cl₂N₄O₆P₂PdS₂
• 分子量: 770.068
• InChiKey: DTRMHHILNYLCBR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  二(氰基苯)二氯化钯 、 N-(diisopropoxyphosphoryl)-N'-(tert-butyl)thiocarbamide 以 乙腈 为溶剂， 以86%的产率得到trans-[Pd((t-Bu)2NHCSNHP(O)(O-iPr)2)2Cl2]
  参考文献：
  名称：

  Intramolecular hydrogen bond controlled monodentate S-coordination of N-phosphoryl-N′-(R)-thioureas with Pd(II)

  摘要：

  Reaction of N-phosphorylated thioureas RNHC(S)NHP(O)(OiPr)(2) (R = tBu, HLI; R = Ph, HLII; R = 4 '-benzo-15-crown-5, HLIII) with Pd(PhCN)(2)Cl-2 in acetonitrile leads to complexes of formulae Pd(HLI-S)(2)Cl-2 (1), Pd(HLII-S)(2)Cl-2 (2) and Pd(HLIII-S)(2)Cl-2 (3). The crystal structure of complex 1 has been investigated by X-ray crystallography. It was established that the thiourea ligands are in a trans-configuration and the palladium(II) cation is coordinated by the sulfur atoms of the C=S groups and the chlorine atoms. Complex 1 is the first example of palladium(II) complex in which the potentially chelating N-phosphorylated thiourea ligand is bound through the sulfur atom only. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.12.034

文献信息

• Monodentate S-vs. bidentate 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Pd(II)
  作者：Damir A. Safin、Felix D. Sokolov、Łukasz Szyrwiel、Sergey V. Baranov、Maria G. Babashkina、Timur R. Gimadiev、Henryk Kozlowski

  DOI：10.1016/j.poly.2008.03.012

  日期：2008.6

  Reaction of N-phosphorylated thioureas of common formula RNHC(S)NHP(O)(OiPr)(2) (R = rBu, HL1:R = Ph, HLII; R = 4'-benzo- I 5-crown-5, HLIII) with Pd(PhCN)(2)Cl-2 in acetonitrile leads to complexes of the structure Pd(HL1-S)(2)Cl-2 (1), Pd(HLII-S)(2)Cl-2 (2) and Pd(HLIII-S)(2)Cl-2 (3). Reaction of N-phosphorylated thioureas of common formula RC(S)NHP(O)(OiPr)(2) (R = Et2N, HLIV; R = morpholine-N-yl, HLV) in the same conditions leads to complexes Pd(L-IV-O,S)(2) (4) and Pd(L-V-O,S)(2) (5), where the palladium(II) atoms are coordinated in a square-planar fashion by the C=S sulfur atoms and the P=O oxygen atoms of two anionic ligands. The crystal structure of complex I has been investigated by X-ray crystallography. It was established that the thiourea ligands are in a trans-configuration and the palladium(II) cation is coordinated by the sulfur atoms of the C=S groups and the chlorine atoms. Complex 1 is the first example of palladium(II) complex in which the potentially chelating N-phosphorylated thiourea ligand is bound through the sulfur atom only. (C) 2008 Elsevier Ltd. All rights reserved.