| 950683-50-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• CAS: 950683-50-8
• 化学式: C₃₇H₅₈N₈O₁₆
• 分子量: 870.912
• InChiKey: RLNYHSHUIJUPTF-SBDHNAMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.08
• 重原子数：
  61.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  285.91
• 氢给体数：
  4.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以76%的产率得到1-[2-(2-{2-[1-(3-acetylamino-6-carboxy-4-guanidino-3,4-dihydro-2H-pyran-2-yl)-2,3-dihydroxypropoxycarbonylamino]ethoxy}ethoxy)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis of C-4 and C-7 triazole analogs of zanamivir as multivalent sialic acid containing scaffolds

  摘要：

  The relative reactivities of C-4 and C-7 azides derived from zanamivir were compared in cycloaddition reactions with a panel of alkynes. All of the reactions proceeded efficiently with no observable differences between primary and secondary azides. Significant rate differences were observed between several members of the alkyne panel. Most notably, a trialkyne derived from a 1,3,5-triazine core underwent complete reaction within 4 h, whereas an analogous trialkyne with an all carbon aromatic core required 18 h. These results suggest that the triazine core serves as an internal catalyst. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2007.06.002
• 作为产物：
  描述：

  叠氮-三聚乙二醇-叔丁氧羰基 在 4-二甲氨基吡啶 、 copper(II) sulfate 、 sodium ascorbate 、 三氟乙酸 作用下， 以 吡啶 、 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 52.0h， 生成
  参考文献：
  名称：

  Synthesis of C-4 and C-7 triazole analogs of zanamivir as multivalent sialic acid containing scaffolds

  摘要：

  The relative reactivities of C-4 and C-7 azides derived from zanamivir were compared in cycloaddition reactions with a panel of alkynes. All of the reactions proceeded efficiently with no observable differences between primary and secondary azides. Significant rate differences were observed between several members of the alkyne panel. Most notably, a trialkyne derived from a 1,3,5-triazine core underwent complete reaction within 4 h, whereas an analogous trialkyne with an all carbon aromatic core required 18 h. These results suggest that the triazine core serves as an internal catalyst. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2007.06.002