4-tetrahydropyranyl-η5-cyclopentadienyldicarbonyliron(II) | 374082-05-0

• 英文名称: 4-tetrahydropyranyl-η5-cyclopentadienyldicarbonyliron(II)
• CAS: 374082-05-0
• 化学式: C₁₂H₁₄FeO₃
• 分子量: 262.088
• InChiKey: NATUBAOWAGNFPG-UHFFFAOYSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  sodium dicarbonyl(cyclopentadienyl)ferrate 、 对甲苯磺酸四氢-2H-吡喃-4-基酯 以 四氢呋喃 为溶剂， 以15%的产率得到4-tetrahydropyranyl-η5-cyclopentadienyldicarbonyliron(II)
  参考文献：
  名称：

  Chemical shift effects in the 13C-NMR spectra of [(C5H5)(CO)2FeII]-substituted cyclohexanes, dioxanes and tetrahydropyrans

  摘要：

  A set of empirically derived C-13-NMR chemical shift additivity constants have been calculated for the Fp-substituent on cyclohexane, tetrahydropyran and dioxane rings. These were tested against a series of alkyl substituted Fp-complexes. These parameters prove to be highly reliable; the calculated and experimental chemical shifts are within +/-1 ppm. The parameters vary greatly between ring systems. One explanation for the differences relates to changes in conformation about the. bond connecting the Fp-group to the various rings. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00874-9