Tert-butyl 1-oxo-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxylate | 1221818-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: Tert-butyl 1-oxo-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxylate
• CAS: 1221818-88-7
• 化学式: C₁₆H₂₈N₂O₃
• 分子量: 296.41
• InChiKey: OGRMFIHOEKZFIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Tert-butyl 1-oxo-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
  参考文献：
  名称：

  Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists

  摘要：

  It was hypothesized that an appropriately substituted 2,8-diazaspiro[4.5]decan-1-one could effectively approximate a 5-feature T-type pharmacophore model published in the literature. Compounds were designed and synthesized to test our hypothesis and were found to be potent T-type calcium channel inhibitors with modest selectivity over L-type calcium channels. The synthesis and SAR of the series is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.098
• 作为产物：
  描述：

  1-tert-butyl 4-ethyl 4-(2-oxoethyl)piperidine-1,4-dicarboxylate 、 异丙胺 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 17.0h， 生成 Tert-butyl 1-oxo-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxylate
  参考文献：
  名称：

  Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists

  摘要：

  It was hypothesized that an appropriately substituted 2,8-diazaspiro[4.5]decan-1-one could effectively approximate a 5-feature T-type pharmacophore model published in the literature. Compounds were designed and synthesized to test our hypothesis and were found to be potent T-type calcium channel inhibitors with modest selectivity over L-type calcium channels. The synthesis and SAR of the series is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.098