[Zn(phen)(NH2C(S)NP(O)(OiPr)2)2] | 1268491-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Zn(phen)(NH2C(S)NP(O)(OiPr)2)2]
• 英文别名: [Zn(1,10-phenanthroline)(NH2C(S)NP(O)(OiPr)2)2]
• CAS: 1268491-55-9
• 化学式: C₂₆H₄₀N₆O₆P₂S₂Zn
• 分子量: 724.11
• InChiKey: BZAOTAFCJYTJJF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 [Zn(NH2C(S)NP(O)(OiPr)2)2] 以 苯 为溶剂， 以91%的产率得到[Zn(phen)(NH2C(S)NP(O)(OiPr)2)2]
  参考文献：
  名称：

  Studies on Zn(II) and Cd(II) heteroligand complexes with RC(S)NHP(O)(OiPr)2 (R=Ph, NH2, PhNH) and α-diimine (bpy and phen) ligands. C–Cl bond cleavage of CH2Cl2 by [Zn(phen){PhC(S)NP(O)(OiPr)2}2]

  摘要：

  The reaction of [ZnL2I,II] (L-I = [NH2C(S)NP(O)(OiPr)(2)] ; L-II = [PhNHC(S)NP(O)(OiPr)(2)] ) or [Cd2L4IV] (L-IV = [PhC(S)NP(O)(OiPr)(2)] ) with 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) leads to the heteroligand complexes [Zn(bpy)L-2(I,II)], [Zn(phen)L-2(I,II)], [Cd(bpy)L-2(IV)] or [Cd(phen)L-2(IV)], respectively. The introduction of the diimine ligands into the coordination sphere of the metal cation provokes a change from 1,5-O,S- to 1,3-N,S-coordination of the anionic ligands for Zn but not for the Cd species. The reaction of [Zn(phen)L-2(IV)] (L-IV = PhC(S)NP(O)(OiPr)(2) ) with CH2Cl2 cleaves the chlorine atoms from CH2Cl2 and leads to the formation of [Zn(phen)(LCl)-Cl-IV] and S, S'-bis(benzimidothio-N-diisopropoxyphosphoryl)methane (L-IV-CH2-L-IV) in high yields. Using CHCl3 or CCl4 instead of CH2Cl2 does not lead to the formation of chlorine substituted products even under reflux conditions. The new compounds were investigated by H-1 and P-31{H-1} NMR, IR spectroscopy and microanalysis. Crystal structures of [ZnL2II], [Cd(phen)-L-2(IV)]center dot CH2Cl2, [Zn(bpy)L-2(I)] and [Zn(phen)(LCl)-Cl-IV] were elucidated by X-ray diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.001