N(C(S)NHP(S)(OiPr)2)(CH2CH2NHC(S)NHP(S)(OiPr)2)2 | 1355017-28-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: N(C(S)NHP(S)(OiPr)2)(CH2CH2NHC(S)NHP(S)(OiPr)2)2
• 英文别名: [Bis[2-[[di(propan-2-yloxy)-sulfidophosphaniumyl]carbamothioylamino]ethyl]carbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium；[bis[2-[[di(propan-2-yloxy)-sulfidophosphaniumyl]carbamothioylamino]ethyl]carbamothioylamino]-di(propan-2-yloxy)-sulfidophosphanium
• CAS: 1355017-28-5
• 化学式: C₂₅H₅₅N₆O₆P₃S₆
• 分子量: 821.066
• InChiKey: MRGMSZOJBSSHNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  46
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  218
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N(C(S)NHP(S)(OiPr)2)(CH2CH2NHC(S)NHP(S)(OiPr)2)2 、 silver nitrate 、 三苯基膦 在 KOH 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以87%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 、 二乙烯三胺 以 二氯甲烷 为溶剂， 反应 2.0h， 以89%的产率得到N(C(S)NHP(S)(OiPr)2)(CH2CH2NHC(S)NHP(S)(OiPr)2)2
  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