2-Hydroxy-3-piperidin-1-ylmethyl-cyclohepta-2,4,6-trienone | 83406-14-8

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 2-Hydroxy-3-piperidin-1-ylmethyl-cyclohepta-2,4,6-trienone
• CAS: 83406-14-8
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: NQOZFZBNVXKKBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.74
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  二哌啶甲烷 、 环庚三烯酚酮 以 乙醚 为溶剂， 以83%的产率得到2-Hydroxy-3-piperidin-1-ylmethyl-cyclohepta-2,4,6-trienone
  参考文献：
  名称：

  Some Nuclear Reactions of Tropolones

  摘要：

  AbstractTropolones are of known biological importance,1‐3 both in the plant and animal world. Their synthesis and physico‐chemical properties are therefore of some importance. Tropolone (2‐hydroxy‐2, 4, 6‐cyclo‐heptatriene‐l‐one), by virtue of its inherent aromatic characteristics, would be expected to undergo electrophilic substitution in a facile manner. This is found not to be the case. Substituted tropolones must therefore be produced by new reaction pathways, which necessarily involves more easily accessible intermediates. Such intermediates could possibly be the aminomethyl derivatives of tropolone, which are easily prepared by a simple Mannich condensation. Elaboration of these adducts could lead to more complex tropolones.Nuclear substitution of tropolonesFriedel Crafts reactions of tropolonesAn investigation of Friedel Crafts alkylations and acylations was undertaken using a variety of Lewis acids as catalysts.

  DOI：

  10.1002/bscb.19820910609