cyclopenta-1,3-diene;N-(cyclopenta-2,4-dien-1-ylmethyl)-3-[4-[3-(cyclopenta-2,4-dien-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine;iron(2+) | 228099-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: cyclopenta-1,3-diene;N-(cyclopenta-2,4-dien-1-ylmethyl)-3-[4-[3-(cyclopenta-2,4-dien-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine;iron(2+)
• CAS: 228099-55-6
• 化学式: C₃₂H₄₄Fe₂N₄
• 分子量: 596.422
• InChiKey: NDFBRBGQNBEYHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 cyclopenta-1,3-diene;N-(cyclopenta-2,4-dien-1-ylmethyl)-3-[4-[3-(cyclopenta-2,4-dien-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine;iron(2+) 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, X-ray structural determination and Mössbauer characterization of Schiff bases bearing ferrocene groups, their reduced analogues and related complexes

  摘要：

  [1 + 1], [1 + 2], [2 + 1] or [3 + 1] acyclic and [1 + 1] or [2 + 2] cyclic Schiff bases (L-A... L-S), containing ferrocene moieties, have been prepared by reaction of formyl- or 1,1'-diformylferrocene and the appropriate amines. Formyl- and 1,1-diformylferrocene form respectively the acyclic [2 + 1] L-W and [2 + 2], L-Z compounds by reaction with 1,4-diaminomethylbenzene. Similar compounds (L-T... L-V,) have been obtained by condensation of aminomethylferrocene and 2,6-diformylpyridine, 2,6-diformyl-4-chlorophenol and 3-methoxy-2-hydroxybenzaldehyde. By reduction of these compounds with NaBH4 the corresponding ferrocene-amine derivatives (L') have been synthesized. All these compounds have been characterized by physico-chemical measurements (IR, NMR, Mossbauer spectroscopy and FAB mass spectrometry) and L-H, derived by the condensation of ferrocene-aldehyde and 1,5-diamino-3-oxa-pentane, also by an X-ray structural determination. The X-ray analysis of crystals of L-H, grown from a diethyl ether solution, shows that two independent molecules are present in the asymmetric unit; these two molecules are chemically equivalent with the ferrocenyl groups in the eclipsed form. The coordination ability of these compounds towards d metal ions as copper(II), nickel(II), platinum(II) and rhodium(III) was investigated; while the Schiff bases (L) may suffer hydrolysis, their reduced analogues (L') form stable, well-defined complexes of the type M(L')(Cl)(n) (n = 2, 3). The Mossbauer spectra of the prepared compounds show signals with delta at 0.44 and Delta E-Q 2.30 mm s(-1) for the Schiff bases L-A... L-S and 0.52 and 2.40 mm s(-1) for the reduced analogues and hence may be diagnostic of the presence of Fe-CH=N- or Fe-CH2-NH- groups. The signals with delta at 0.51-0.55 and Delta E-Q at 2.34-2.38 mm s(-1) for the Schiff bases L-T... L-V, having Fe-CH2-N=CH groups, resemble those of the reduced analogues. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00413-7
• 作为产物：
  描述：

  cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N-[3-[4-[3-(cyclopenta-2,4-dien-1-ylmethylideneamino)propyl]piperazin-1-yl]propyl]methanimine;iron(2+) 、 lithium aluminium tetrahydride 以 四氢呋喃 为溶剂， 生成 cyclopenta-1,3-diene;N-(cyclopenta-2,4-dien-1-ylmethyl)-3-[4-[3-(cyclopenta-2,4-dien-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine;iron(2+)
  参考文献：
  名称：

  Synthesis, X-ray structural determination and Mössbauer characterization of Schiff bases bearing ferrocene groups, their reduced analogues and related complexes

  摘要：

  [1 + 1], [1 + 2], [2 + 1] or [3 + 1] acyclic and [1 + 1] or [2 + 2] cyclic Schiff bases (L-A... L-S), containing ferrocene moieties, have been prepared by reaction of formyl- or 1,1'-diformylferrocene and the appropriate amines. Formyl- and 1,1-diformylferrocene form respectively the acyclic [2 + 1] L-W and [2 + 2], L-Z compounds by reaction with 1,4-diaminomethylbenzene. Similar compounds (L-T... L-V,) have been obtained by condensation of aminomethylferrocene and 2,6-diformylpyridine, 2,6-diformyl-4-chlorophenol and 3-methoxy-2-hydroxybenzaldehyde. By reduction of these compounds with NaBH4 the corresponding ferrocene-amine derivatives (L') have been synthesized. All these compounds have been characterized by physico-chemical measurements (IR, NMR, Mossbauer spectroscopy and FAB mass spectrometry) and L-H, derived by the condensation of ferrocene-aldehyde and 1,5-diamino-3-oxa-pentane, also by an X-ray structural determination. The X-ray analysis of crystals of L-H, grown from a diethyl ether solution, shows that two independent molecules are present in the asymmetric unit; these two molecules are chemically equivalent with the ferrocenyl groups in the eclipsed form. The coordination ability of these compounds towards d metal ions as copper(II), nickel(II), platinum(II) and rhodium(III) was investigated; while the Schiff bases (L) may suffer hydrolysis, their reduced analogues (L') form stable, well-defined complexes of the type M(L')(Cl)(n) (n = 2, 3). The Mossbauer spectra of the prepared compounds show signals with delta at 0.44 and Delta E-Q 2.30 mm s(-1) for the Schiff bases L-A... L-S and 0.52 and 2.40 mm s(-1) for the reduced analogues and hence may be diagnostic of the presence of Fe-CH=N- or Fe-CH2-NH- groups. The signals with delta at 0.51-0.55 and Delta E-Q at 2.34-2.38 mm s(-1) for the Schiff bases L-T... L-V, having Fe-CH2-N=CH groups, resemble those of the reduced analogues. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00413-7