Tert-butyl 3-isothiocyanatopiperidine-1-carboxylate | 1781878-76-9

• 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: Tert-butyl 3-isothiocyanatopiperidine-1-carboxylate
• CAS: 1781878-76-9
• 化学式: C₁₁H₁₈N₂O₂S
• 分子量: 242.34
• InChiKey: IKQQACDYIJWBPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  74
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 3-isothiocyanatopiperidine-1-carboxylate 在 碘 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 tert-butyl 3-((8-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino)piperidine-1-carboxylate
  参考文献：
  名称：

  [1,2,4]TRIAZOLO[4,3-a]PYRIDINES AND [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS NLRP3 INHIBITORS

  摘要：

  Provided are compounds for use as inhibitors of the NLRP3 inflammasone pathway, wherein such compounds are as defined by compounds of formula (I) and wherein the radicals R1, R2, R3, R4, L and A are defined in the description, and where the compounds may be useful as medicaments, for instance for use in the treatment of a disease or disorder that is associated with NLRP3 inflammasome activity.

  公开号：

  WO2024160694A1
• 作为产物：
  描述：

  硫光气 、 1-叔丁氧羰基-3-氨基哌啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以93 %的产率得到Tert-butyl 3-isothiocyanatopiperidine-1-carboxylate
  参考文献：
  名称：

  [1,2,4]TRIAZOLO[4,3-a]PYRIDINES AND [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS NLRP3 INHIBITORS

  摘要：

  Provided are compounds for use as inhibitors of the NLRP3 inflammasone pathway, wherein such compounds are as defined by compounds of formula (I) and wherein the radicals R1, R2, R3, R4, L and A are defined in the description, and where the compounds may be useful as medicaments, for instance for use in the treatment of a disease or disorder that is associated with NLRP3 inflammasome activity.

  公开号：

  WO2024160694A1