2-<2-(3-Hydroxypropyl)phenyl>-1,3-dioxane | 152035-65-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-<2-(3-Hydroxypropyl)phenyl>-1,3-dioxane
• CAS: 152035-65-9
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: HQMRIHHTPONMIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-<2-(3-Hydroxypropyl)phenyl>-1,3-dioxane 在 4-甲基苯磺酸吡啶 作用下， 以 水 、 丙酮 为溶剂， 以91%的产率得到2-(3-Hydroxypropyl)benzaldehyde
  参考文献：
  名称：

  Synthesis of new five-atom-linked capped porphyrins

  摘要：

  The synthesis and characterization of three new five-atom-linked ''capped'' porphyrins, 6, 12, and 18, are reported. The general synthetic procedure involves synthesis of a tetraaldehyde ''cap'' by reacting the five-atom ''arm'' with 1,2,4,5-tetrahydroxybenzene in DMSO solvent in the presence of KOH. The tetraaldehyde and pyrrole are reacted to form the capped porphyrin. These compounds are useful as models for the active sites of heme proteins.

  DOI：

  10.1021/jo00075a031
• 作为产物：
  描述：

  methyl (E)-3-(2-(1,3-dioxan-2-yl)phenyl)acrylate 在 甲醇 、 二异丁基氢化铝 、 magnesium 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 2-<2-(3-Hydroxypropyl)phenyl>-1,3-dioxane
  参考文献：
  名称：

  Synthesis of new five-atom-linked capped porphyrins

  摘要：

  The synthesis and characterization of three new five-atom-linked ''capped'' porphyrins, 6, 12, and 18, are reported. The general synthetic procedure involves synthesis of a tetraaldehyde ''cap'' by reacting the five-atom ''arm'' with 1,2,4,5-tetrahydroxybenzene in DMSO solvent in the presence of KOH. The tetraaldehyde and pyrrole are reacted to form the capped porphyrin. These compounds are useful as models for the active sites of heme proteins.

  DOI：

  10.1021/jo00075a031

文献信息

• Synthesis of new five-atom-linked capped porphyrins
  作者：Wuping Ma、Carla Slebodnick、James A. Ibers

  DOI：10.1021/jo00075a031

  日期：1993.11

  The synthesis and characterization of three new five-atom-linked ''capped'' porphyrins, 6, 12, and 18, are reported. The general synthetic procedure involves synthesis of a tetraaldehyde ''cap'' by reacting the five-atom ''arm'' with 1,2,4,5-tetrahydroxybenzene in DMSO solvent in the presence of KOH. The tetraaldehyde and pyrrole are reacted to form the capped porphyrin. These compounds are useful as models for the active sites of heme proteins.