tetrakis[[μ-(2,6-pyridinemethanolate-κN(1),κO(2),κO(6))](4-bromophenyl)boron] | 861151-02-2

• 英文名称: tetrakis[[μ-(2,6-pyridinemethanolate-κN(1),κO(2),κO(6))](4-bromophenyl)boron]
• CAS: 861151-02-2
• 化学式: C₅₂H₄₄B₄Br₄N₄O₈
• 分子量: 1215.8
• InChiKey: YHFBGUGOYRKFHL-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：

  tetrakis[[μ-(2,6-pyridinemethanolate-κN(1),κO(2),κO(6))](4-bromophenyl)boron] 、 水 以 氘代二甲亚砜 为溶剂， 生成 1-((4-bromophenyl)dihydroxy-l4-boraneyl)-2,6-bis(hydroxymethyl)pyridin-1-ium
  参考文献：
  名称：

  Macrocycles, adducts and monomeric boron compounds derived from 2,6-dimethanolpyridine and arylboronic acids

  摘要：

  The reaction of 2,6-dimethanolpyridine with arylboronic acids at room temperature led to the formation of tetrameric compounds la-le in good yields. Since the tetrameric derivatives were insoluble in common organic solvents, their characterization was based on IR, mass spectrometry, as well as C-13 and -B-11 NMR, in the solid state. Macrocyclic compounds la-le can be hydrolyzed upon heating in DMSO to give adducts 2a-2e, which are only held by a coordination bond between the nitrogen and boron atoms, as demonstrated by H-1, C-13 and B-11 NMR, in solution. Moreover, the presence of an additional carbon atom in the aliphatic chain of the ligand, as in the case of 2,6(beta-diethanolamine)pyridine, leads exclusively to the formation of the monomeric specie 4, as established by X-ray diffraction analysis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.014
• 作为产物：
  描述：

  2,6-吡啶二甲醇 、 4-溴苯硼酸 以 四氢呋喃 为溶剂， 以85%的产率得到tetrakis[[μ-(2,6-pyridinemethanolate-κN(1),κO(2),κO(6))](4-bromophenyl)boron]
  参考文献：
  名称：

  Macrocycles, adducts and monomeric boron compounds derived from 2,6-dimethanolpyridine and arylboronic acids

  摘要：

  The reaction of 2,6-dimethanolpyridine with arylboronic acids at room temperature led to the formation of tetrameric compounds la-le in good yields. Since the tetrameric derivatives were insoluble in common organic solvents, their characterization was based on IR, mass spectrometry, as well as C-13 and -B-11 NMR, in the solid state. Macrocyclic compounds la-le can be hydrolyzed upon heating in DMSO to give adducts 2a-2e, which are only held by a coordination bond between the nitrogen and boron atoms, as demonstrated by H-1, C-13 and B-11 NMR, in solution. Moreover, the presence of an additional carbon atom in the aliphatic chain of the ligand, as in the case of 2,6(beta-diethanolamine)pyridine, leads exclusively to the formation of the monomeric specie 4, as established by X-ray diffraction analysis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.014