Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)2Fe | 163167-92-8

• 英文名称: Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)2Fe
• CAS: 163167-92-8
• 化学式: C₄₀H₄₂Fe₂N₈P₂S₂
• 分子量: 872.601
• InChiKey: QJHXYXLYAMNUFY-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)2Fe 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  An efficient synthesis of the first electroactive phosphorus-containing bisferrocene macrocycles

  摘要：

  磷酰二肼 XP(Ph)(NMeNH2)2(X=O 1a，S 1b)与二茂铁-1,1′-二甲醛 2 的缩合反应以良好的收率生成了磷二茂铁大环 Fe[C5H4CHNNMeP(X)PhNMeNCHC5H4]2Fe （X=O 3a，S 3b）的第一个实例、S 3b）和 3b 可分别与 LAH 和 CF3SO3Me 反应，转化为新化合物 Fe[C5H4CH2NHNMeP(S)PhNMeNHCH2C5H4]2Fe 5 和 [Fe{C5H4CHNNMeP(S)(Me)PhNMeNCHC5H4}2Fe][CF3SO3]26 ；5 代表了一种新的阴离子受体原型，它能电化学识别 H2PO4-、HSO4- 和 Cl- 阴离子。

  DOI：

  10.1039/c39950000585
• 作为产物：
  描述：

  [Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)2Fe][ZnCl2]2 在 pyridine 作用下， 以 吡啶 为溶剂， 生成 Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)2Fe
  参考文献：
  名称：

  [PhP(S)(NMeNH2)2]ZnCl2: A Reagent for the Synthesis of Polymetallic Complexes. X-ray Structure of the Electroactive Compound [PhP(S)(NMeN:CHC5H4FeCp)2]ZnCl2

  摘要：

  The zinc complex [PhP(S)(NMeNH(2))(2)]ZnCl2 (2), cleanly obtained by reaction of the phosphodihydrazide PhP-(S)(NMeNH(2))(2) (1) with ZnCl2, is a good reagent in producing new polymetallic compounds by condensation reaction with aldehydes. The reaction of 2 with terephthalaldehyde (3) in a 2/1 or 1/1 stoichiometry leads selectively to the acyclic zinc compound [C6H4-1,4-(CH=NNMePhP(S)NMeNH(2))(2)] [ZnCl2](2) (6) or to the macrocyclic zinc complex [PhP(S)C6H4-1,4-(CH=NNMe)(2)](2)[ZnCl2](2) (7). Reaction of compound 2 with 2 equiv of ferrocenecarbaldehyde affords the zinc-iron phosphodihydrazone complex [PhP(S)(NMeN=CHC(5)H(4)FeCp)(2)]ZnCl2 (8) whose structure has been determined by X-ray crystallography. Crystal data: triclinic P $($) over bar$$ 1, with a 12.798(1) Angstrom, b = 14.639(2) A, c = 11.744(2) Angstrom, alpha = 111.74(1)degrees, beta = 115.92(1)degrees, gamma = 68,36(1)degrees, V = 1780.9 Angstrom(3), Z = 2; R 0.037, Rw = 0.044 for 3345 observations and 448 variable parameters. In this neutral trimetallic complex, the Zn(II) center adopts a pseudotetrahedral geometry. This structure is characterized by a five-membered ring with the Zn(II) bonded to the S atom and to one of the N atoms of the phosphodihydrazone ligand PhP(S)-(NMeN=CHC(5)H(4)FeCp)(2) (9). Variable-temperature NMR investigations of 8 show that 9 can act as a hemilabile ligand toward ZnCl2 through an exchange process between the two hydrazone arms in solution. Electrochemical study of complex 8, when compared to the ferrocenyl ligand 9, shows that ZnCl2 complexation induces a shift of 80 mV toward a more anodic potential. Reaction of 2 with the ferrocene-1,1'-dicarbaidehyde also produces the bisferrocenyl dizinc macrocycle [Fe(C5H4CH=NNMePhP(S)NMeN=CHC5H4)(2)Fe][ZnCl2](2) (10).

  DOI：

  10.1021/ic00120a035