4-phenyl-2,6-pyrido-crown-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-phenyl-2,6-pyrido-crown-8
• 英文别名: 25-Phenyl-3,6,9,12,15,18,21-heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene
• 化学式: C₂₅H₃₅NO₇
• 分子量: 461.555
• InChiKey: KQJFWKJUAPOBNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-phenyl-2,6-pyrido-crown-8 、 dibenzylammonium hexafluorophosphate 以 氘代乙腈 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  Bromopyrido-24-crown-8: a versatile building block for the construction of interlocked molecules

  摘要：

  The usefulness of the aryl halide, 4-bromopyrido-24-crown-8, in easily appending the pyrido-24-crown-8 unit onto organic frameworks to afford new dibenzylammonium receptors has been explored. Bromopyrido-24-crown-8 has been coupled with phenylboronic acid to yield 4-phenylpyrido-24-crown-8, which is shown to complex a variety of dibenzylammonium ions yielding complexes that are more stable than their dibenzo-24-crown-8 counterparts. One of these new complexes, in which a diformyl-terminated thread is bound, has been used to assemble a [2]rotaxane under thermodynamic control. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.105
• 作为产物：
  描述：

  4-phenyl-2,6-pyridinedimethanol 在 sodium hydride 作用下， 以 四氢呋喃 、 氢溴酸 为溶剂， 反应 19.0h， 生成 4-phenyl-2,6-pyrido-crown-8
  参考文献：
  名称：

  Synthetic molecular receptors for urea. Macrocyclic ligands with intraannular acidic groups and the complexes with urea

  摘要：

  DOI：

  10.1021/ja00232a028

文献信息

• VAN, STAVEREN CATHERINA J.;AARTS, VERONIKA M. L. J.;GROOTENHUIS, PETER D.+, J. AMER. CHEM. SOC., 110,(1988) N 24, C. 8134-8144
  作者：VAN, STAVEREN CATHERINA J.、AARTS, VERONIKA M. L. J.、GROOTENHUIS, PETER D.+

  DOI：——

  日期：——
• Synthetic molecular receptors for urea. Macrocyclic ligands with intraannular acidic groups and the complexes with urea
  作者：Catherina J. Van Staveren、Veronika M. L. J. Aarts、Peter D. J. Grootenhuis、Wichert J. H. Droppers、Johan. Van Eerden、Sybolt. Harkema、David N. Reinhoudt

  DOI：10.1021/ja00232a028

  日期：1988.11
• Bromopyrido-24-crown-8: a versatile building block for the construction of interlocked molecules
  作者：Luke C. Delmas、Nicholas A. Payne、Avril R. Williams

  DOI：10.1016/j.tetlet.2015.11.105

  日期：2016.2

  The usefulness of the aryl halide, 4-bromopyrido-24-crown-8, in easily appending the pyrido-24-crown-8 unit onto organic frameworks to afford new dibenzylammonium receptors has been explored. Bromopyrido-24-crown-8 has been coupled with phenylboronic acid to yield 4-phenylpyrido-24-crown-8, which is shown to complex a variety of dibenzylammonium ions yielding complexes that are more stable than their dibenzo-24-crown-8 counterparts. One of these new complexes, in which a diformyl-terminated thread is bound, has been used to assemble a [2]rotaxane under thermodynamic control. (C) 2015 Elsevier Ltd. All rights reserved.