ethyl 6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1-propan-2-yl-7,8-dihydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxylate | 336192-82-6

• 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: ethyl 6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1-propan-2-yl-7,8-dihydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxylate
• CAS: 336192-82-6
• 化学式: C₂₅H₃₅N₃O₅
• 分子量: 457.57
• InChiKey: XCPCPOYEPXECTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1-propan-2-yl-7,8-dihydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以100%的产率得到ethyl 6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1-propan-2-yl-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxylate
  参考文献：
  名称：

  The synthesis of β-strand mimetic templates via regioselective 1,3-dipolar cycloaddition with vinylsulfone

  摘要：

  We have developed a practical synthetic route to constrained P-strand mimetic templates by regioselective 1,3-dipolar cycloaddition of azomethine imines with vinyl sulfone. A small library of P-strand mimetic templates was generated which include potent and selective inhibitors of serine proteases. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02229-2
• 作为产物：
  描述：

  4-<(tert-butoxycarbonyl)amino>-4-benzyltetrahydropyridazin-3(2H)-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 36.0h， 生成 ethyl 6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1-propan-2-yl-7,8-dihydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxylate
  参考文献：
  名称：

  The synthesis of β-strand mimetic templates via regioselective 1,3-dipolar cycloaddition with vinylsulfone

  摘要：

  We have developed a practical synthetic route to constrained P-strand mimetic templates by regioselective 1,3-dipolar cycloaddition of azomethine imines with vinyl sulfone. A small library of P-strand mimetic templates was generated which include potent and selective inhibitors of serine proteases. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02229-2

文献信息

• The synthesis of β-strand mimetic templates via regioselective 1,3-dipolar cycloaddition with vinylsulfone
  作者：Nobuhiro Fuchi、Takayuki Doi、Takeo Harada、Jan Urban、Bolong Cao、Michael Kahn、Takashi Takahashi

  DOI：10.1016/s0040-4039(00)02229-2

  日期：2001.2

  We have developed a practical synthetic route to constrained P-strand mimetic templates by regioselective 1,3-dipolar cycloaddition of azomethine imines with vinyl sulfone. A small library of P-strand mimetic templates was generated which include potent and selective inhibitors of serine proteases. (C) 2001 Elsevier Science Ltd. All rights reserved.