2-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-8-methyl-1-oxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-7-carboxylic acid 1,2,2-trimethyl-propyl ester | 880876-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-8-methyl-1-oxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-7-carboxylic acid 1,2,2-trimethyl-propyl ester
• 英文别名: 3,3-Dimethylbutan-2-yl 2-[3-(1,3-dioxoisoindol-2-yl)propyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
• CAS: 880876-96-0
• 化学式: C₂₆H₃₁N₃O₅
• 分子量: 465.549
• InChiKey: ROMSHOSVARFTHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-8-methyl-1-oxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-7-carboxylic acid 1,2,2-trimethyl-propyl ester 在 肼 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3,3-Dimethylbutan-2-yl 2-(3-aminopropyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
  参考文献：
  名称：

  From pyrroles to pyrrolo[1,2-a]pyrazinones: A new class of mGluR1 antagonists

  摘要：

  Exploiting the SAR of the known pyrrole derivatives, a new class of mGluR1 antagonists was developed through a cyclization of the C-2 position on the pyrrole N-1 nitrogen. The resulting pyrrolo[1,2-a]pyrazinones are potent and noncompetitive antagonists. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.11.049
• 作为产物：
  描述：

  1-Cyanomethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-ethyl ester 4-(1,2,2-trimethyl-propyl) ester 在 sodium tetrahydroborate 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 2-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-8-methyl-1-oxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-7-carboxylic acid 1,2,2-trimethyl-propyl ester
  参考文献：
  名称：

  From pyrroles to pyrrolo[1,2-a]pyrazinones: A new class of mGluR1 antagonists

  摘要：

  Exploiting the SAR of the known pyrrole derivatives, a new class of mGluR1 antagonists was developed through a cyclization of the C-2 position on the pyrrole N-1 nitrogen. The resulting pyrrolo[1,2-a]pyrazinones are potent and noncompetitive antagonists. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.11.049

文献信息

• From pyrroles to pyrrolo[1,2-a]pyrazinones: A new class of mGluR1 antagonists
  作者：Fabrizio Micheli、Paolo Cavanni、Romano Di Fabio、Carla Marchioro、Daniele Donati、Stefania Faedo、Micaela Maffeis、Fabio Maria Sabbatini、Maria Elvira Tranquillini

  DOI：10.1016/j.bmcl.2005.11.049

  日期：2006.3

  Exploiting the SAR of the known pyrrole derivatives, a new class of mGluR1 antagonists was developed through a cyclization of the C-2 position on the pyrrole N-1 nitrogen. The resulting pyrrolo[1,2-a]pyrazinones are potent and noncompetitive antagonists. (C) 2005 Published by Elsevier Ltd.