cyclopenta-1,3-diene;3-(cyclopenta-2,4-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine;dichlorozinc;iron(2+) | 494770-17-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cyclopenta-1,3-diene;3-(cyclopenta-2,4-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine;dichlorozinc;iron(2+)
• CAS: 494770-17-1；494844-17-6
• 化学式: C₁₆H₂₂Cl₂FeN₂Zn
• 分子量: 434.507
• InChiKey: PNFFLFDCDCUMEV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [(η5-C5H5)Fe(η5-C5H4-CHN-(CH2)3-N(CH3)2)] 、 zinc(II) chloride 以 甲醇 为溶剂， 以82%的产率得到cyclopenta-1,3-diene;3-(cyclopenta-2,4-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine;dichlorozinc;iron(2+)
  参考文献：
  名称：

  Synthesis, X-ray crystal structure and solution behaviour of [Zn{(η5-C5H5)Fe[(η5-C5H4)CHN(CH2)3NMe2]}Cl2]

  摘要：

  The synthesis and characterization of the heterodimetallic complex [Zn {(eta(5)-C5H5)Fe[(eta(5) -C5H4)-CH=N-(CH2)(3)-NMe2]}Cl-2] (2) is reported. The X-ray crystal structure of 2 reveals that the ligand has an anti-conformation and acts as a neutral bidentate (N,N) ligand forming a six-membered chelate ring. NMR studies of 2 in CDCl3 or acetone-d(6) are also reported and suggest that two species coexist in solution. This finding has been ascribed to the presence of two isomeric forms of 2 which differ in the conformation of the ligand E(anti-) or Z(syn-). DFT calculations support this hypothesis (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01181-6