2-hydroxyethyl <(2SR,5RS)-(E)-N-methyl-5-styrylpiperidin-2-yl>acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxyethyl <(2SR,5RS)-(E)-N-methyl-5-styrylpiperidin-2-yl>acetate
• 英文别名: 2-hydroxyethyl 2-[(2R,5S)-1-methyl-5-[(E)-2-phenylethenyl]pyrrolidin-2-yl]acetate
• 化学式: C₁₇H₂₃NO₃
• 分子量: 289.375
• InChiKey: SLQAHLUWMUZGBU-XLBHYRNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-hydroxyethyl <(2SR,5RS)-(E)-N-methyl-5-styrylpiperidin-2-yl>acetate 在 potassium carbonate 作用下， 生成 methyl <(2SR,5RS)-(E)-N-methyl-5-styrylpiperidin-2-yl>acetate
  参考文献：
  名称：

  Ring Cleavage Reaction of Heterocyclic Ketones Based on Crossed Aldol Condensation

  摘要：

  Ring cleavage reaction based on crossed aldol condensation using heterocyclic ketones such as 4-piperidone and nortropinone derivatives with benzaldehyde under acetalization conditions (BF3 . Et(2)O/ethylene glycol) has been achieved.

  DOI：

  10.3987/com-95-7339
• 作为产物：
  描述：

  托品酮 、 苯甲醛 、 乙二醇 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以16%的产率得到2-hydroxyethyl <(2SR,5RS)-(E)-N-methyl-5-styrylpiperidin-2-yl>acetate
  参考文献：
  名称：

  Ring Cleavage Reaction of Heterocyclic Ketones Based on Crossed Aldol Condensation

  摘要：

  Ring cleavage reaction based on crossed aldol condensation using heterocyclic ketones such as 4-piperidone and nortropinone derivatives with benzaldehyde under acetalization conditions (BF3 . Et(2)O/ethylene glycol) has been achieved.

  DOI：

  10.3987/com-95-7339

文献信息

• Ring Cleavage Reaction of Heterocyclic Ketones Based on Crossed Aldol Condensation
  作者：Hiroshi Suemune、Jun Uchida、Kiyoshi Sakai

  DOI：10.3987/com-95-7339

  日期：——

  Ring cleavage reaction based on crossed aldol condensation using heterocyclic ketones such as 4-piperidone and nortropinone derivatives with benzaldehyde under acetalization conditions (BF3 . Et(2)O/ethylene glycol) has been achieved.