cyclopent-3-en-1-yl-(5-hydroxy-2-methoxyphenyl)methanone | 861220-61-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cyclopent-3-en-1-yl-(5-hydroxy-2-methoxyphenyl)methanone
• CAS: 861220-61-3
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: LCUKJYGYGFZRQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cyclopent-3-en-1-yl-(5-hydroxy-2-methoxyphenyl)methanone 在 吡啶 、 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 生成 Trifluoro-methanesulfonic acid 2-(cyclopent-3-enecarbonyl)-4-hydroxy-phenyl ester
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036
• 作为产物：
  描述：

  N-甲氧基-n-甲基-3-环戊烯-1-羧酰胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 cyclopent-3-en-1-yl-(5-hydroxy-2-methoxyphenyl)methanone
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036