dpea-d1 | 740854-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: dpea-d1
• 英文别名: N'-[deuterio(pyridin-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
• CAS: 740854-29-9
• 化学式: C₁₄H₁₈N₄
• 分子量: 243.316
• InChiKey: PLMFCAGWTCKBCA-WORMITQPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.04
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  iron(II) tetrafluoroborate hexahydrate 、 dpea-d1 、 [Cr(nitrilotriacetate-d6)(3,5-bis(pyridin-2-yl)pyrazole)] 在 Et₃N 作用下， 以 甲醇 为溶剂， 生成 [(nitrilotriacetate-d6)Cr(III)(μ-3,5-bis(pyridin-2-yl)pyrazolate)Fe(II)((2-aminoethyl)(2-pyridylmethyl)(2-pyCHD)amine)]BF4
  参考文献：
  名称：

  Synthesis and anomalous magnetic properties of heterometal dinuclear Fe(II)–Cr(III) complex bridged by 3,5-bis(pyridin-2-yl)-pyrazolate

  摘要：

  A Cr(III)-Fe(II) dinuclear complex [(nta)Cr(mu-bpypz)Fe(dpea)]BF4, where bpypz = 3,5-bis(pyridin-2-yl)-pyazolate, nta = nitrilotriacetate and dpea = (2-aminoethyl)-bis(2-pyridylmethyl)amine, has been synthesized and structurally characterized by ESI-MS and H-2 NMR spectra. The proposed structure is mostly more planar in the bridging moiety as compared to that of the previously reported [(nta)Cr(mu-bpypz)Fe(picen)]BF4(N,N'-bis-(2-pyridylmethyl)ethylenediamine(picen)). The dpea complex is found to be a high spin state, but to exhibit no spin-crossover by magnetic susceptibility and Mossbauer spectra measurements; showing a large antiferromagnetic interaction, which could make the spin transition temperature lower and/or destroy spin-crossover, suggesting complementarity between spin-crossover and magnetic interaction. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.024