(ferrocenylmethyl)(2-hydroxyethyl)ammonium acetate | 1105067-72-8

• 英文名称: (ferrocenylmethyl)(2-hydroxyethyl)ammonium acetate
• CAS: 1105067-72-8
• 化学式: C₂H₄O₂*C₁₃H₁₇FeNO
• 分子量: 319.184
• InChiKey: HYBBNTCPCNKBRK-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

• 作为产物：
  描述：

  (ferrocenylmethyl)(2-hydroxyethyl)amine 、 溶剂黄146 以 甲醇 为溶剂， 生成 (ferrocenylmethyl)(2-hydroxyethyl)ammonium acetate
  参考文献：
  名称：

  Supramolecular assemblies in the crystals of carboxylate salts prepared from a ferrocene β-aminoalcohol

  摘要：

  (Ferrocenylmethyl)(2-hydroxyethyl) amine (1) reacts with mono- (CH(3)CO(2)H and PhCO(2)H) and dicarboxylic acids (HO(2)C(CH(2))(n)CO(2)H (n = 0-2), (E)- and (Z)-HO(2)CCH=CHCO(2)H) to give the respective carboxylates, viz [1H](RCO(2)) (2, R= CH(3); 3, R = Ph), [1H](2)(O(2)C(CH(2))(n)CO(2)) (4, n = 0; 5, n = 1; 6, n = 2), [1H](2)((E)-O(2)CCH= CHCO(2)) (7) and [1H](2)((Z)-HO(2)CCH=CHCO(2)) (8), as defined crystalline solids. Crystal structures of 2 - 8 have been determined by single-crystal X-ray diffraction analysis, revealing extensive hydrogen bonding interactions based predominantly on charge-supported N(+)-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds, and on C-H center dot center dot center dot O contacts. Whereas the crystal assemblies of the monocarboxylate salts propagate preferentially in one dimension (2: cross-linked chains, 3: columnar stacks), those of the salts prepared from the dicarboxylic acids ( including hydrogenmaleate 8) are best described as layered composite arrays resulting via alternation of polar, hydrogen-bonded layers and of non-polar sheets constituted by the ferrocenyl substituents. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.037