Methyl 2-phenylcyclohexanecarboxylate | 30557-82-5

• 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: Methyl 2-phenylcyclohexanecarboxylate
• 英文别名: methyl (1R,2S)-2-phenylcyclohexane-1-carboxylate
• CAS: 30557-82-5；64396-68-5；70144-87-5
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: IMAGBMSOGGYLDK-CHWSQXEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Methyl 2-phenylcyclohexene-1-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以91%的产率得到Methyl 2-phenylcyclohexanecarboxylate
  参考文献：
  名称：

  Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters

  摘要：

  A series of simple truncated analogues of phenyl tropanes, 2-arylcycloalk-1-enyl carboxylic acid methylesters, were prepared and investigated for their activity towards the dopamine, serotonin and norepinephrine transporters. The compounds were prepared from cyclic ketoesters, which were converted to enolic triflates and reacted with arylboronates using the Suzuki coupling. For comparison the corresponding piperidines were also made and investigated. The new compounds inhibit monoamine-transporters with K-i values ranging from 0.1 to 1000 mu M. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.069