Cu(PPh3)((EtO)2P(O)CH2C6H4-4-[NHC(S)NP(S)(O-i-Pr)2]) | 1071788-52-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Cu(PPh3)((EtO)2P(O)CH2C6H4-4-[NHC(S)NP(S)(O-i-Pr)2])
• 英文别名: ((EtO)2P(O)CH2C6H4-4-(NHC(S)NP(S)(OiPr)2))CuPPh3
• CAS: 1071788-52-7
• 化学式: C₃₆H₄₆CuN₂O₅P₃S₂
• 分子量: 807.371
• InChiKey: ZCNXKELZEVGWLQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.04
• 重原子数：
  49.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  80.12
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  碘(三苯基膦基)铜 、 (EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(O-i-Pr)2] 在 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以73%的产率得到Cu(PPh3)((EtO)2P(O)CH2C6H4-4-[NHC(S)NP(S)(O-i-Pr)2])
  参考文献：
  名称：

  Complexes of N-thiophosphorylthiourea (EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(OiPr)2] with Zn(II), Cd(II), Co(II) and Cu(PPh3)(I)

  摘要：

  Reaction of O,O'-diisopropylthiophosphoric acid isothiocyanate (iPrO)(2)P(S)NCS with diethyl 4-aminobenzylphos phonate (EtO)(2)P(O)CH2C6H4-4-NH2 leads to the new N-thiophosphorylated thiourea (EtO)(2)P(O)CH2CrH4-4-[NHC(S)NHP(S)(OiPr)(2)] (HL). Reaction of the potassium salt of HL with Zn(II), Cd(II) and Co(II) in aqueous EtOH leads to complexes of formula M(L-SS')(2) (ML2). Heteroligand copper(I) complex of HL and tripherrylphosphine was prepared by the reaction ofthe potassium salt KL and CU(PPh3)(3)I. Copper in complex CU(PPh3)L is bound by one PPh3 and one SCNPS fragment of the chelating ligand. Compounds obtained were investigated by IR, UV-Vis, H-1 and P-31[H-1) NMR spectroscopy, and microanalysis. The structures of HL and Cu(PPh3)L were investigated by single crystal X-ray diffraction analysis. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.06.005