1-(3,5-dihydroxyphenyl)dodecan-1-one | 1250871-16-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,5-dihydroxyphenyl)dodecan-1-one
• 英文别名: 1-(3,5-Dihydroxyphenyl)-1-dodecanone
• CAS: 1250871-16-9
• 化学式: C₁₈H₂₈O₃
• 分子量: 292.419
• InChiKey: SDDXARNXESMNFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吡咯 、 1-(3,5-dihydroxyphenyl)dodecan-1-one 在 甲烷磺酸 作用下， 以 甲醇 为溶剂， 以17%的产率得到5-[10,15,20-Tris(3,5-dihydroxyphenyl)-5,10,15,20-tetra(undecyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzene-1,3-diol
  参考文献：
  名称：

  Self-Assembly of a Hexameric Aggregate of a Lipophilic Calix[4]pyrrole−Resorcinarene Hybrid in Solution: A Diffusion NMR Study

  摘要：

  The lipophilic calix[4]pyrrole-resorcinarene hybrid 1b, the extended analogue of resorcin[4]arene 2b, was synthesized for the first time, and its self-assembly in solution was studied using H-1 and diffusion NMR. It was found that 1b self-assembles to hexameric aggregates in CDCl3 solution. The interaction of trialkylamine guests with the hexameric aggregate of lb was explored, and it appears that under the conditions used in the present study these guests interact with the external faces of the hexameric aggregate of 1b.

  DOI：

  10.1021/ol1020114
• 作为产物：
  描述：

  1-(3,5-dimethoxyphenyl)dodecan-1-one 在 三溴化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到1-(3,5-dihydroxyphenyl)dodecan-1-one
  参考文献：
  名称：

  Self-Assembly of a Hexameric Aggregate of a Lipophilic Calix[4]pyrrole−Resorcinarene Hybrid in Solution: A Diffusion NMR Study

  摘要：

  The lipophilic calix[4]pyrrole-resorcinarene hybrid 1b, the extended analogue of resorcin[4]arene 2b, was synthesized for the first time, and its self-assembly in solution was studied using H-1 and diffusion NMR. It was found that 1b self-assembles to hexameric aggregates in CDCl3 solution. The interaction of trialkylamine guests with the hexameric aggregate of lb was explored, and it appears that under the conditions used in the present study these guests interact with the external faces of the hexameric aggregate of 1b.

  DOI：

  10.1021/ol1020114

文献信息

• Self-Assembly of a Hexameric Aggregate of a Lipophilic Calix[4]pyrrole−Resorcinarene Hybrid in Solution: A Diffusion NMR Study
  作者：S. Slovak、T. Evan-Salem、Y. Cohen

  DOI：10.1021/ol1020114

  日期：2010.11.5

  The lipophilic calix[4]pyrrole-resorcinarene hybrid 1b, the extended analogue of resorcin[4]arene 2b, was synthesized for the first time, and its self-assembly in solution was studied using H-1 and diffusion NMR. It was found that 1b self-assembles to hexameric aggregates in CDCl3 solution. The interaction of trialkylamine guests with the hexameric aggregate of lb was explored, and it appears that under the conditions used in the present study these guests interact with the external faces of the hexameric aggregate of 1b.