((EtO)2P(O)CH2C6H4-4-(NHC(S)NP(S)(OiPr)2))Cu2I(CH2(PPh2)2)2 | 1308325-25-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ((EtO)2P(O)CH2C6H4-4-(NHC(S)NP(S)(OiPr)2))Cu2I(CH2(PPh2)2)2
• CAS: 1308325-25-8
• 化学式: C₆₈H₇₅Cu₂IN₂O₅P₆S₂
• 分子量: 1504.32
• InChiKey: PQZJVZKLJOPRGS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  14.02
• 重原子数：
  86.0
• 可旋转键数：
  19.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  copper(l) iodide 、 (EtO)2P(O)CH2C6H4-4-[NHC(S)NHP(S)(O-i-Pr)2] 、 双二苯基膦甲烷 在 KOH 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 以73%的产率得到((EtO)2P(O)CH2C6H4-4-(NHC(S)NP(S)(OiPr)2))Cu2I(CH2(PPh2)2)2
  参考文献：
  名称：

  Heteroligand copper(I) complexes of N-thiophosphorylated thioureas and phosphanes: Versatile structures and luminescence

  摘要：

  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), [Cu{Ph2P(CH2)(2)PPh2}L-I] (3), [Cu{Ph2P(CH2)(3)PPh2}L-I] (4), [Cu{Ph2P(C5H4FeC5H4) PPh2}L-I] (5), [Cu-2(PPh3)(2)L-II] (6), [Cu-2(Ph2PCH2PPh2)L-II] (7), [Cu-2{Ph2P(CH2)(2)PPh2}(2)L-II] (8), [Cu-2{Ph2P(CH2)(3)PPh2}(2)L-II] (9), [Cu-2{Ph2P(C5H4FeC5H4)PPh2}(2)L-II] (10), [Cu-8(Ph2PCH2PPh2)(8)(LI4)-I-III] (11), [Cu-4{Ph2P(CH2)(2)PPh2}(4)L-III] (12), [Cu-4{Ph2P(CH2)(3)PPh2}(4)L-III] (13) or [Cu-4{Ph2P(C5H4FeC5H4)PPh2}(4)L-III] (14) complexes. The structures of these compounds were investigated by IR, H-1, P-31{H-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.

  DOI：

  10.1016/j.ica.2011.01.035