tert-butyl (Z)-3-(1-((tert-butoxycarbonyl)(methyl)amino)cyclopropyl)acrylate | 959904-26-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tert-butyl (Z)-3-(1-((tert-butoxycarbonyl)(methyl)amino)cyclopropyl)acrylate
• CAS: 959904-26-8
• 化学式: C₁₆H₂₇NO₄
• 分子量: 297.395
• InChiKey: LYDHLYOAJWJJLY-HJWRWDBZSA-N

物化性质

• 沸点：
  354.7±21.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (Z)-3-(1-((tert-butoxycarbonyl)(methyl)amino)cyclopropyl)acrylate 在 二异丁基氢化铝 作用下， 以 正己烷 为溶剂， 以45%的产率得到1,1-Dimethylethyl N-[1-[(1Z)-3-hydroxy-1-propen-1-yl]cyclopropyl]-N-methylcarbamate
  参考文献：
  名称：

  Preparation and affinity profile of novel nicotinic ligands

  摘要：

  Novel nicotinic ligands, characterized by the presence of an amino substituted cyclopropane ring connected to a pyridine nucleus, are described. Pharmacological investigation revealed that these compounds exhibit highest affinity for the rat alpha 4 beta 2 subtype of the nicotinic receptor with no affinity for the muscarinic receptor. No appreciable affinity for the muscular or for the ganglionic nicotinic receptor was observed at concentrations up to 10 mu M. The increase in cortical ACh release as well as a positive effect on memory in a social recognition test in rat are exemplified. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.075
• 作为产物：
  描述：

  tert-butyl N-(1-formylcyclopropyl)-N-methylcarbamate 、 tert-butyl 2-(diphenoxyphosphoryl)acetate 在 苄基三甲基氢氧化铵 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到tert-butyl (Z)-3-(1-((tert-butoxycarbonyl)(methyl)amino)cyclopropyl)acrylate
  参考文献：
  名称：

  Preparation and affinity profile of novel nicotinic ligands

  摘要：

  Novel nicotinic ligands, characterized by the presence of an amino substituted cyclopropane ring connected to a pyridine nucleus, are described. Pharmacological investigation revealed that these compounds exhibit highest affinity for the rat alpha 4 beta 2 subtype of the nicotinic receptor with no affinity for the muscarinic receptor. No appreciable affinity for the muscular or for the ganglionic nicotinic receptor was observed at concentrations up to 10 mu M. The increase in cortical ACh release as well as a positive effect on memory in a social recognition test in rat are exemplified. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.075