N(CH2CH2NHC(S)NHP(S)(OiPr)2)3 | 1355017-27-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N(CH2CH2NHC(S)NHP(S)(OiPr)2)3
• 英文别名: [2-[Bis[2-[[di(propan-2-yloxy)-sulfidophosphaniumyl]carbamothioylamino]ethyl]amino]ethylcarbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium；[2-[bis[2-[[di(propan-2-yloxy)-sulfidophosphaniumyl]carbamothioylamino]ethyl]amino]ethylcarbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium
• CAS: 1355017-27-4
• 化学式: C₂₇H₆₀N₇O₆P₃S₆
• 分子量: 864.134
• InChiKey: VTSYYUJQHHYRIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  49
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  230
• 氢给体数：
  6
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 N(CH2CH2NHC(S)NHP(S)(OiPr)2)3 、 三苯基膦 在 KOH 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Heteroleptic Cu(I) and Ag(I) complexes of N-thiophosphorylated tris–thioureas and triphenylphosphane

  摘要：

  The reaction between tris(2-aminoethyl)amine or diethylenetriamine and O,O'-diisopropyl-isothiocyantothiophosphate (iPrO)(2)P(S)NCS gives the tris-functional thioureas N(CH2CH2NHC(S)NHP(S)(OiPr)(2))(3) (H3L1) and N(C(S)NHP(S)(OiPr)(2))(CH2CH2NHC(S)NHP(S)(OiPr)(2))(2) (H3LII) with three C(S)NHP(S)(OiPr)(2) groups. The reaction of the potassium salts K3LI,II with a mixture of CuI or AgNO3 and PPh3 in aqueous EtOH/CH2Cl2 leads to the [M-3(PPh3)(6)L-I,L-II] complexes. According to the IR, H-1 and P-31{H-1} NMR data, the deprotonated thioureas L-I,L-II are coordinated through the sulfur atoms of the thiocarbonyl and thiophosphoryl groups in [M-3(PPh3)(6)L-I,L-II], both in the solid state and in solution. The complexes [Cu-3(PPh3)(6)L-I,L-II] and [Ag-3(PPh3)(6)L-I,L-II] show emissions in the solid state at about 465 and 490 nm, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.028
• 作为产物：
  描述：

  diisopropoxythiophosphoryl isothiocyanate 、 三(2-氨基乙基)胺 以 二氯甲烷 为溶剂， 反应 2.0h， 以94%的产率得到N(CH2CH2NHC(S)NHP(S)(OiPr)2)3
  参考文献：
  名称：

  Heteroleptic Cu(I) and Ag(I) complexes of N-thiophosphorylated tris–thioureas and triphenylphosphane

  摘要：

  The reaction between tris(2-aminoethyl)amine or diethylenetriamine and O,O'-diisopropyl-isothiocyantothiophosphate (iPrO)(2)P(S)NCS gives the tris-functional thioureas N(CH2CH2NHC(S)NHP(S)(OiPr)(2))(3) (H3L1) and N(C(S)NHP(S)(OiPr)(2))(CH2CH2NHC(S)NHP(S)(OiPr)(2))(2) (H3LII) with three C(S)NHP(S)(OiPr)(2) groups. The reaction of the potassium salts K3LI,II with a mixture of CuI or AgNO3 and PPh3 in aqueous EtOH/CH2Cl2 leads to the [M-3(PPh3)(6)L-I,L-II] complexes. According to the IR, H-1 and P-31{H-1} NMR data, the deprotonated thioureas L-I,L-II are coordinated through the sulfur atoms of the thiocarbonyl and thiophosphoryl groups in [M-3(PPh3)(6)L-I,L-II], both in the solid state and in solution. The complexes [Cu-3(PPh3)(6)L-I,L-II] and [Ag-3(PPh3)(6)L-I,L-II] show emissions in the solid state at about 465 and 490 nm, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.028

文献信息

• Heteroleptic Cu(I) and Ag(I) complexes of N-thiophosphorylated tris–thioureas and triphenylphosphane
  作者：Maria G. Babashkina、Damir A. Safin、Yann Garcia

  DOI：10.1016/j.poly.2011.11.028

  日期：2012.2

  The reaction between tris(2-aminoethyl)amine or diethylenetriamine and O,O'-diisopropyl-isothiocyantothiophosphate (iPrO)(2)P(S)NCS gives the tris-functional thioureas N(CH2CH2NHC(S)NHP(S)(OiPr)(2))(3) (H3L1) and N(C(S)NHP(S)(OiPr)(2))(CH2CH2NHC(S)NHP(S)(OiPr)(2))(2) (H3LII) with three C(S)NHP(S)(OiPr)(2) groups. The reaction of the potassium salts K3LI,II with a mixture of CuI or AgNO3 and PPh3 in aqueous EtOH/CH2Cl2 leads to the [M-3(PPh3)(6)L-I,L-II] complexes. According to the IR, H-1 and P-31H-1} NMR data, the deprotonated thioureas L-I,L-II are coordinated through the sulfur atoms of the thiocarbonyl and thiophosphoryl groups in [M-3(PPh3)(6)L-I,L-II], both in the solid state and in solution. The complexes [Cu-3(PPh3)(6)L-I,L-II] and [Ag-3(PPh3)(6)L-I,L-II] show emissions in the solid state at about 465 and 490 nm, respectively. (C) 2011 Elsevier Ltd. All rights reserved.