(1R,2R,3R,4R)-1-(10-Methyl-10H-2,3,4,5,10,10b-hexaaza-cyclopenta[a]fluoren-1-yl)-pentane-1,2,3,4,5-pentaol | 212844-33-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2R,3R,4R)-1-(10-Methyl-10H-2,3,4,5,10,10b-hexaaza-cyclopenta[a]fluoren-1-yl)-pentane-1,2,3,4,5-pentaol
• CAS: 212844-33-2
• 化学式: C₁₆H₁₈N₆O₅
• 分子量: 374.356
• InChiKey: DNGNSOGQKUKQEH-XEZLXBQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.73
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  162.05
• 氢给体数：
  5.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (1R,2R,3R,4R)-1-(10-Methyl-10H-2,3,4,5,10,10b-hexaaza-cyclopenta[a]fluoren-1-yl)-pentane-1,2,3,4,5-pentaol 在 吡啶 作用下， 反应 72.0h， 以60%的产率得到Acetic acid (1R,2R,3R,4R)-2,3,4,5-tetraacetoxy-1-(10-methyl-10H-2,3,4,5,10,10b-hexaaza-cyclopenta[a]fluoren-1-yl)-pentyl ester
  参考文献：
  名称：

  AcycloC-Nucleoside Analogs. Regioselective Annellation of a Triazole Ring to 5-Methyl-1,2,4-Triazino[5,6-b]Indole and Formation of Certain 3-Poly Hydroxyalkyl Derivatives

  摘要：

  Cyclodehydrogenation of the ethylidene derivative of (5-methyl-1,2,4-triazino[5,6-b]indol-3-yl)hydrazine (1) gave the angular isomer, 1,10-dimethyl-1,2,4-triazolo[3',4':3,4][1,2,4]triazino[5,6-b] (4) The linear isomer, 3,10-dimethyl- 1,2,4-triazolo[4',3':2,3][1,2,4]triazino[5,6-b ](7) could be prepared regioselectively by the cyclodehydration of the acetyl derivative of 1. The cyclodehydrogenation was extended to the monosaccharide derivatives of 1. The role of the N-methyl group on the site of annellation has been discussed.

  DOI：

  10.1080/07328319808003476
• 作为产物：
  描述：

  D-甘露糖 在 三氯化铁 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 2.25h， 生成 (1R,2R,3R,4R)-1-(10-Methyl-10H-2,3,4,5,10,10b-hexaaza-cyclopenta[a]fluoren-1-yl)-pentane-1,2,3,4,5-pentaol
  参考文献：
  名称：

  AcycloC-Nucleoside Analogs. Regioselective Annellation of a Triazole Ring to 5-Methyl-1,2,4-Triazino[5,6-b]Indole and Formation of Certain 3-Poly Hydroxyalkyl Derivatives

  摘要：

  Cyclodehydrogenation of the ethylidene derivative of (5-methyl-1,2,4-triazino[5,6-b]indol-3-yl)hydrazine (1) gave the angular isomer, 1,10-dimethyl-1,2,4-triazolo[3',4':3,4][1,2,4]triazino[5,6-b] (4) The linear isomer, 3,10-dimethyl- 1,2,4-triazolo[4',3':2,3][1,2,4]triazino[5,6-b ](7) could be prepared regioselectively by the cyclodehydration of the acetyl derivative of 1. The cyclodehydrogenation was extended to the monosaccharide derivatives of 1. The role of the N-methyl group on the site of annellation has been discussed.

  DOI：

  10.1080/07328319808003476