1-(4-methylphenyl)-2,7,7-trimethyl-4-methylsulfanyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepine | 267402-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(4-methylphenyl)-2,7,7-trimethyl-4-methylsulfanyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepine
• 英文别名: 2,7,7-Trimethyl-1-(4-methylphenyl)-4-methylsulfanyl-6,8-dihydropyrrolo[3,2-c]azepine；2,7,7-trimethyl-1-(4-methylphenyl)-4-methylsulfanyl-6,8-dihydropyrrolo[3,2-c]azepine
• CAS: 267402-09-5
• 化学式: C₁₉H₂₄N₂S
• 分子量: 312.479
• InChiKey: DMDBMMNDDNVXJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  42.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯氧乙酰氯 、 1-(4-methylphenyl)-2,7,7-trimethyl-4-methylsulfanyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepine 在 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 以48%的产率得到3-(4-methylphenyl)-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-one
  参考文献：
  名称：

  Synthesis of the New Triheterocyclic System C3N-C4N-C6N. 3-Aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones

  摘要：

  The regio- and stereoselective synthesis of the cis-3-aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones (1) was performed. A four-step sequence, which yields are good, constitutes the first synthetic way for the preparation of the first member of this new C3N-C4N-C6N series.

  DOI：

  10.3987/com-99-8662
• 作为产物：
  描述：

  6H-1-(4-methylphenyl)-2,7,7-trimethyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one 在 劳森试剂 、 碳酸氢钠 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.08h， 生成 1-(4-methylphenyl)-2,7,7-trimethyl-4-methylsulfanyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepine
  参考文献：
  名称：

  Synthesis of the New Triheterocyclic System C3N-C4N-C6N. 3-Aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones

  摘要：

  The regio- and stereoselective synthesis of the cis-3-aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones (1) was performed. A four-step sequence, which yields are good, constitutes the first synthetic way for the preparation of the first member of this new C3N-C4N-C6N series.

  DOI：

  10.3987/com-99-8662

文献信息

• Synthesis of the New Triheterocyclic System C3N-C4N-C6N. 3-Aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones
  作者：Roberto Martínez、José Gustavo Avila-Zárraga、Gema López-López、Víctor Oswaldo Nava-Salgado

  DOI：10.3987/com-99-8662

  日期：——

  The regio- and stereoselective synthesis of the cis-3-aryl-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-4,5,6,8,9,9a-hexahydro-3H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-ones (1) was performed. A four-step sequence, which yields are good, constitutes the first synthetic way for the preparation of the first member of this new C3N-C4N-C6N series.