(EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(O-i-Pr)2] | 1071788-48-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: (EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(O-i-Pr)2]
• 英文别名: (EtO)2P(O)CH2C6H4-4-(NHC(S)NHP(S)(OiPr)2)；[[4-[[Diethoxy(oxido)phosphaniumyl]methyl]phenyl]carbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium；[[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]carbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium
• CAS: 1071788-48-1
• 化学式: C₁₈H₃₂N₂O₅P₂S₂
• 分子量: 482.542
• InChiKey: ANYOEUSPDWRCQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(O-i-Pr)2] 、 cadmium(II) acetate dihydrate 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以86%的产率得到Cd((EtO)2P(O)CH2C6H4-4-[NHC(S)NP(S)(O-i-Pr)2])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

文献信息

• Heteroligand copper(I) complexes of N-thiophosphorylated thioureas and phosphanes: Versatile structures and luminescence
  作者：Damir A. Safin、Maria G. Babashkina、Michael Bolte、Martin Köckerling

  DOI：10.1016/j.ica.2011.01.035

  日期：2011.5

  Reaction of the potassium salts of (EtO)(2)P(O)CH2C6H4-4-(NHC(S)NHP(S)(OiPr)(2)) (HLI), (CH2NHC(S)NHP(S) (OiPr)(2))(2) (H2LII) or cyclam(C(S)NHP(S)(OiPr)(2))(4) (H4LIII) with [Cu(PPh3)(3)I] or a mixture of CuI and Ph2P(CH2)(1-3)PPh2 or Ph2P(C5H4FeC5H4)PPh2 in aqueous EtOH/CH2Cl2 leads to [Cu(PPh3)L-I] (1), [Cu-2(Ph2PCH2PPh2)(2)(LI)-I-I] (2), [CuPh2P(CH2)(2)PPh2}L-I] (3), [CuPh2P(CH2)(3)PPh2}L-I] (4), [CuPh2P(C5H4FeC5H4) PPh2}L-I] (5), [Cu-2(PPh3)(2)L-II] (6), [Cu-2(Ph2PCH2PPh2)L-II] (7), [Cu-2Ph2P(CH2)(2)PPh2}(2)L-II] (8), [Cu-2Ph2P(CH2)(3)PPh2}(2)L-II] (9), [Cu-2Ph2P(C5H4FeC5H4)PPh2}(2)L-II] (10), [Cu-8(Ph2PCH2PPh2)(8)(LI4)-I-III] (11), [Cu-4Ph2P(CH2)(2)PPh2}(4)L-III] (12), [Cu-4Ph2P(CH2)(3)PPh2}(4)L-III] (13) or [Cu-4Ph2P(C5H4FeC5H4)PPh2}(4)L-III] (14) complexes. The structures of these compounds were investigated by IR, H-1, P-31H-1} NMR spectroscopy; their compositions were examined by microanalysis. The luminescent properties of the complexes 1-14 in the solid state are reported. (C) 2011 Elsevier B.V. All rights reserved.
• 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)
  作者：Damir A. Safin、Maria G. Babashkina、Timur R. Gimadiev、Michael Bolte、Marina V. Pinus、Dmitriy B. Krivolapov、Igor A. Litvinov

  DOI：10.1016/j.poly.2008.06.005

  日期：2008.9

  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.