tert-butyl [(4-carbamoylbicyclo[2.2.2]octan-1-yl)methyl]carbamate | 219996-50-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl [(4-carbamoylbicyclo[2.2.2]octan-1-yl)methyl]carbamate
• 英文别名: Boc-4-aminomethylbicyclo[2.2.2]octane carboxamide；tert-Butyl ((4-carbamoylbicyclo[2.2.2]octan-1-yl)methyl)carbamate；tert-butyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
• CAS: 219996-50-6
• 化学式: C₁₅H₂₆N₂O₃
• 分子量: 282.383
• InChiKey: IVXLQIYBHUCVBA-UHFFFAOYSA-N

物化性质

• 沸点：
  454.2±14.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl [(4-carbamoylbicyclo[2.2.2]octan-1-yl)methyl]carbamate 在 伯吉斯试剂 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 1.58h， 生成 tert-butyl [(4-cyanobicyclo[2.2.2]octan-1-yl)methyl]carbamate
  参考文献：
  名称：

  CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER

  摘要：

  公开号：

  EP1009420B1
• 作为产物：
  描述：

  4-(Tert-butoxycarbonylamino)methylbicyclo[2.2.2]octane-1-carboxylate 在 ammonium hydroxide 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 水 为溶剂， 以80 %的产率得到tert-butyl [(4-carbamoylbicyclo[2.2.2]octan-1-yl)methyl]carbamate
  参考文献：
  名称：

  WO2024075051A1

  摘要：

  公开号：

文献信息

• WO2006/128184
  申请人：——

  公开号：——

  公开（公告）日：——
• CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER
  申请人：MERCK & CO., INC.

  公开号：EP1009420B1

  公开（公告）日：2003-12-17
• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• HETEROBICYCLIC METALLOPROTEASE INHIBITORS
  申请人：Steeneck Christoph

  公开号：US20120015920A1

  公开（公告）日：2012-01-19

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.