2-(ferrocenylmethyl)amino-2-methyl-propan-1-ol | 680622-40-6

• 英文名称: 2-(ferrocenylmethyl)amino-2-methyl-propan-1-ol
• 英文别名: FcCH2NHCMe2CH2OH
• CAS: 680622-40-6
• 化学式: C₁₅H₂₁FeNO
• 分子量: 287.185
• InChiKey: IJUVXILSKSMLEP-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

• 作为反应物：
  描述：

  2-(ferrocenylmethyl)amino-2-methyl-propan-1-ol 、 氢溴酸 以 氘代乙腈 、 水 为溶剂， 生成 (ferrocenylmethyl)(3-hydroxy-2-methylprop-2-yl)ammonium bromide
  参考文献：
  名称：

  Acid-base and counter ion dependent solid-state assembly of a ferrocene β-aminoalcohol and the corresponding ammonium salt

  摘要：

  2-(Ferrocenylmethyl)amino-2-methylpropan-1-ol was synthesized and converted to the respective ammonium bromide ([1H]Brdrop2) and dihydrogenphosphate ([1H]H(2)PO(4)drop3). The solid-state structures of 1, 2 and the solvated salt 3(.)1/6Et(2)O (3a) have been determined by X-ray diffraction. The solid-state assemblies of 1 and 2 are dominated by infinite ladder-like arrays interconnected by hydrogen bonds whereas the solid-state structure of 3a is built up from linear hydrogen-bonded dihydrogenphosphate chains, which are interlinked via hydrogen bonds to the cations [1H](+) into a complicated three-dimensional network. Compound 1 and its interactions with Bu4NBr and Bu4NH2PO4 in solution were further studied by electrochemical methods and NMR titrations. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.11.017
• 作为产物：
  描述：

  二茂铁甲醛 、 2-氨基-2-甲基-1-丙醇 在 sodium tetrahydridoborate 作用下， 以 氯仿 为溶剂， 以72%的产率得到2-(ferrocenylmethyl)amino-2-methyl-propan-1-ol
  参考文献：
  名称：

  Acid-base and counter ion dependent solid-state assembly of a ferrocene β-aminoalcohol and the corresponding ammonium salt

  摘要：

  2-(Ferrocenylmethyl)amino-2-methylpropan-1-ol was synthesized and converted to the respective ammonium bromide ([1H]Brdrop2) and dihydrogenphosphate ([1H]H(2)PO(4)drop3). The solid-state structures of 1, 2 and the solvated salt 3(.)1/6Et(2)O (3a) have been determined by X-ray diffraction. The solid-state assemblies of 1 and 2 are dominated by infinite ladder-like arrays interconnected by hydrogen bonds whereas the solid-state structure of 3a is built up from linear hydrogen-bonded dihydrogenphosphate chains, which are interlinked via hydrogen bonds to the cations [1H](+) into a complicated three-dimensional network. Compound 1 and its interactions with Bu4NBr and Bu4NH2PO4 in solution were further studied by electrochemical methods and NMR titrations. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.11.017

文献信息

• The variability of hydrogen-bonded supramolecular assemblies in crystalline picrates prepared from ferrocenyl-substituted β-aminoalcohols
  作者：Petr Štěpnička、Martin Zábranský、Martin Lamač、Ivana Císařová、Petr Němec

  DOI：10.1016/j.jorganchem.2008.01.036

  日期：2008.5

  R = Me, 1b) and (S)-FcCH2NHCH(CHMe2)CH2OH (1c; Fc = ferrocenyl) react with 2,4,6-trinitrophenol (Hpic) under proton transfer to afford the corresponding ammonium picrates 2a–c. In the crystal, these picrates associate predominantly via N–H⋯O and O–H⋯O bifurcated hydrogen bonds between the NH2+ and OH groups in the aminoalcohol chain as the donors and the phenoxide and NO2 oxygen atoms of the picrate

  二茂铁基β-氨基醇FcCH 2 NHCR 2 CH 2 OH（R ​​= H，1a ; R = Me，1b）和（S）-FcCH 2 NHCH（CHMe 2）CH 2 OH（1c ; Fc =二茂铁基）与2,4,6-三硝基苯酚（Hpic）在质子转移下得到相应的苦味酸铵2a – c。在晶体中，这些苦味素主要通过氨基醇链中的NH 2 +和OH基团之间的N–H⋯O和O–H⋯O分叉的氢键缔合，作为施主与酚盐和NO 2苦味酸根阴离子的氧原子作为受体。化合物2a和2b在结晶反转中心周围形成闭合的二聚体组装体[ 1n H] 2 [pic] 2（n  =  a，b）。相比之下，它们的手性类似物2c产生单体单元[ 1c H] [pic]（尽管通过相似的相互作用），并通过N–H = O氢键进一步聚合成无限的线性链。形成的组件通过柔软的C–H⋯O氢键和苦味离子的π⋯π堆积相互作用相互连接。