(15bSR,17aSR)-15,18-dimethoxy-5,6,9,10,15b,16,17,17a-octahydrobis[1,3]dioxolo[4,5-g:4,5-g'][1,2,4,5]tetrazino[3,2-a:6,1-a']diisoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (15bSR,17aSR)-15,18-dimethoxy-5,6,9,10,15b,16,17,17a-octahydrobis[1,3]dioxolo[4,5-g:4,5-g'][1,2,4,5]tetrazino[3,2-a:6,1-a']diisoquinoline
• 英文别名: (14R,17R)-12,19-dimethoxy-8,10,21,23-tetraoxa-1,2,15,16-tetrazaheptacyclo[15.11.0.02,14.05,13.07,11.018,26.020,24]octacosa-5,7(11),12,18,20(24),25-hexaene
• 化学式: C₂₂H₂₄N₄O₆
• 分子量: 440.456
• InChiKey: SAWKQXPMKMUMLY-FGZHOGPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  85.9
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-甲氧基-6-乙烯基-1,3-苯并二氧戊环-5-甲醛 、 一水合肼 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以77%的产率得到(15bSR,17aSR)-15,18-dimethoxy-5,6,9,10,15b,16,17,17a-octahydrobis[1,3]dioxolo[4,5-g:4,5-g'][1,2,4,5]tetrazino[3,2-a:6,1-a']diisoquinoline
  参考文献：
  名称：

  Chemistry of the Pseudobasic Amino Alcohols. Part 40. Synthesis of Three New Condensed Nitrogen Heterocyclic Systems

  摘要：

  Replacement of the central oxygen atom of the heptacyclic condensed diisoquinoline 3 by reaction with hydrazine, hydroxylamine or thiourea in a simple method gave three new heterocyclic ring systems involving 1,2,4,5-tetrazine (7), 1,2,4,5-oxatriazine (8) and 1,2,4,6-tetrazepine (9) central rings.

  DOI：

  10.3987/com-08-11511

文献信息

• Chemistry of the Pseudobasic Amino Alcohols. Part 40. Synthesis of Three New Condensed Nitrogen Heterocyclic Systems
  作者：Dezsö Korbonits、Benjamin Podányi、Kálmán Simon、Miklós Hanusz、István Hermecz、Árpád Illár

  DOI：10.3987/com-08-11511

  日期：——

  Replacement of the central oxygen atom of the heptacyclic condensed diisoquinoline 3 by reaction with hydrazine, hydroxylamine or thiourea in a simple method gave three new heterocyclic ring systems involving 1,2,4,5-tetrazine (7), 1,2,4,5-oxatriazine (8) and 1,2,4,6-tetrazepine (9) central rings.