tert-butyl 6-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(3H)-carboxylate | 906647-93-6

• 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 6-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(3H)-carboxylate
• 英文别名: Tert-butyl 6-oxo-3,3a,4,6a-tetrahydropyrrolo[3,4-c]pyrazole-5-carboxylate
• CAS: 906647-93-6
• 化学式: C₁₀H₁₅N₃O₃
• 分子量: 225.247
• InChiKey: GVVJDBRODQLIAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 6-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(3H)-carboxylate 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 8.0h， 生成 (Z)-pulchellalactam
  参考文献：
  名称：

  Short Synthesis of Pulchellalactam

  摘要：

  tert -Butyl 4-methyl-2-oxo-2,5-dihydro-1 H -pyrrole-1-carboxylate 4 was synthesized by a short two-step procedure: regioselective 1,3-dipolar diazomethane cycloaddition to N -Boc-pyrrolinone 2 and thermolysis of the adduct. The compound 4 could be converted in one step into pulchellalactam.

  DOI：

  10.1080/00397910600639182
• 作为产物：
  描述：

  重氮甲烷 、 2-氧代-2,5-二氢-吡咯-1-羧酸叔丁酯 反应 14.0h， 以68%的产率得到tert-butyl 6-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(3H)-carboxylate
  参考文献：
  名称：

  Short Synthesis of Pulchellalactam

  摘要：

  tert -Butyl 4-methyl-2-oxo-2,5-dihydro-1 H -pyrrole-1-carboxylate 4 was synthesized by a short two-step procedure: regioselective 1,3-dipolar diazomethane cycloaddition to N -Boc-pyrrolinone 2 and thermolysis of the adduct. The compound 4 could be converted in one step into pulchellalactam.

  DOI：

  10.1080/00397910600639182

文献信息

• Short Synthesis of Pulchellalactam
  作者：Jean‐Paul Hermet、Virginie Caubert、Nicole Langlois

  DOI：10.1080/00397910600639182

  日期：2006.6

  tert -Butyl 4-methyl-2-oxo-2,5-dihydro-1 H -pyrrole-1-carboxylate 4 was synthesized by a short two-step procedure: regioselective 1,3-dipolar diazomethane cycloaddition to N -Boc-pyrrolinone 2 and thermolysis of the adduct. The compound 4 could be converted in one step into pulchellalactam.