2-tert-butyl 3-methyl 8-methoxy-5,6,11,11b-tetrahydro-1H-2,4a,7,11-tetraaza-benzo[a]fluorene-2,3-dicarboxylate | 1171072-10-8

• 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: 2-tert-butyl 3-methyl 8-methoxy-5,6,11,11b-tetrahydro-1H-2,4a,7,11-tetraaza-benzo[a]fluorene-2,3-dicarboxylate
• 英文别名: 4-O-tert-butyl 5-O-methyl 13-methoxy-4,7,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),5,11(16),12,14-pentaene-4,5-dicarboxylate
• CAS: 1171072-10-8
• 化学式: C₂₁H₂₆N₄O₅
• 分子量: 414.461
• InChiKey: DOFQDHNSCICLAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  97
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-tert-butyl 2-methyl 5-hydroxy-4-(2-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl)-5,6-dihydropyrazine-1,2(4H)-dicarboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以100%的产率得到2-tert-butyl 3-methyl 8-methoxy-5,6,11,11b-tetrahydro-1H-2,4a,7,11-tetraaza-benzo[a]fluorene-2,3-dicarboxylate
  参考文献：
  名称：

  Reactivity of 5-hydroxy-5,6-dihydro-4H-pyrazines—easy and efficient access to ring-fused polycyclic diazinic systems

  摘要：

  An efficient synthesis of functionalized 1,4-diazinic hemiaminals starting from methyl-4H-1,4-oxazine-3-carboxylate moiety is reported. Given that various polycyclic heterocyclic frameworks could be easily obtained, this strategy may provide an efficient method to access a library Of Compounds based on privileged Substructures that are of interest in drug discovery. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.152

文献信息

• Reactivity of 5-hydroxy-5,6-dihydro-4H-pyrazines—easy and efficient access to ring-fused polycyclic diazinic systems
  作者：Elise Claveau、Isabelle Gillaizeau、Gérard Coudert

  DOI：10.1016/j.tetlet.2009.03.152

  日期：2009.7

  An efficient synthesis of functionalized 1,4-diazinic hemiaminals starting from methyl-4H-1,4-oxazine-3-carboxylate moiety is reported. Given that various polycyclic heterocyclic frameworks could be easily obtained, this strategy may provide an efficient method to access a library Of Compounds based on privileged Substructures that are of interest in drug discovery. (C) 2009 Elsevier Ltd. All rights reserved.