1,6-dibenzyl-7-(4-methoxyphenyl)-1,6-dihydro-1,6,8-triaza-cyclopenta[b]naphthalen-5-one | 1184960-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,6-dibenzyl-7-(4-methoxyphenyl)-1,6-dihydro-1,6,8-triaza-cyclopenta[b]naphthalen-5-one
• 英文别名: 3,8-dibenzyl-2-(4-methoxyphenyl)pyrrolo[3,2-g]quinazolin-4-one
• CAS: 1184960-44-8
• 化学式: C₃₁H₂₅N₃O₂
• 分子量: 471.558
• InChiKey: IEWKDRZZSFTIBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,6-dibenzyl-7-benzylsulfanyl-1,6-dihydro-1,6,8-triazacyclopenta[b]naphthalen-5-one 、 4-甲氧基苯硼酸 在 copper(I) 2-hydroxy-3-methylbenzoate 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 24.25h， 以82%的产率得到1,6-dibenzyl-7-(4-methoxyphenyl)-1,6-dihydro-1,6,8-triaza-cyclopenta[b]naphthalen-5-one
  参考文献：
  名称：

  Modular access to heterocycles: methyl 3-aminobenzo[b]thiophene-2-carboxylate–thiourea linkage or pyrimidine-4-one-2-thione formation

  摘要：

  Modular conditions for the formation of thioureas or pyrimidine-4-one-2-thiones connected to the benzo[b]thiophene, benzene and indole structures were performed. A benzo[b]thiophene isothiocyanate derivative was used as a model to study the condensation with simple aromatic amines and amino-L-sorbose derivative. The construction of pyrimidine-4-one-2-thiones using basic conditions afforded efficiently new heterocyclic aromatics, which were further transformed using the alkylated sulfur as a leaving group in palladium-catalyzed cross-coupling reactions.

  DOI：

  10.1007/s00706-008-0030-5