Rel-tert-butyl (((2R,6R)-6-methylpiperidin-2-yl)methyl)carbamate | 1154870-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Rel-tert-butyl (((2R,6R)-6-methylpiperidin-2-yl)methyl)carbamate
• 英文别名: tert-butyl N-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamate
• CAS: 1154870-91-3
• 化学式: C₁₂H₂₄N₂O₂
• 分子量: 228.335
• InChiKey: XRNMGCXGUDXCSG-NXEZZACHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Rel-tert-butyl (((2R,6R)-6-methylpiperidin-2-yl)methyl)carbamate 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122
• 作为产物：
  描述：

  6-甲基-2-吡啶甲胺 在 氢气 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Rel-tert-butyl (((2R,6R)-6-methylpiperidin-2-yl)methyl)carbamate
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122

文献信息

• Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists
  作者：Rong Jiang、Xinyi Song、Purva Bali、Anthony Smith、Claudia Ruiz Bayona、Li Lin、Michael D. Cameron、Patricia H. McDonald、Paul J. Kenny、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2012.04.122

  日期：2012.6

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.