di-tert-butyl ((10S,17S,20S)-17-((3-azidopropyl)carbamoyl)-10-((tert-butoxycarbonyl)amino)-2,2-dimethyl-4,11,19-trioxo-3-oxa-5,12,18-triazatetracosane-20,24-diyl)dicarbamate | 1202493-55-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di-tert-butyl ((10S,17S,20S)-17-((3-azidopropyl)carbamoyl)-10-((tert-butoxycarbonyl)amino)-2,2-dimethyl-4,11,19-trioxo-3-oxa-5,12,18-triazatetracosane-20,24-diyl)dicarbamate
• CAS: 1202493-55-7
• 化学式: C₄₁H₇₆N₁₀O₁₁
• 分子量: 885.115
• InChiKey: VDFLERVKKHFYBV-DTXPUJKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.75
• 重原子数：
  62.0
• 可旋转键数：
  25.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  289.38
• 氢给体数：
  7.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  di-tert-butyl ((10S,17S,20S)-17-((3-azidopropyl)carbamoyl)-10-((tert-butoxycarbonyl)amino)-2,2-dimethyl-4,11,19-trioxo-3-oxa-5,12,18-triazatetracosane-20,24-diyl)dicarbamate 、 在 copper(I) bromide 、 tris(2-(dioctadecylamino)ethyl)amine 作用下， 以 氯仿 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Efficient Synthesis of Fluorescent Squaraine Rotaxane Dendrimers

  摘要：

  A squaraine rotaxane scaffold with four alkyne groups is readily converted into a range of dendritic architectures using high-yielding copper-catalyzed alkyne azide cycloaddition (CuAAC) chemistry. A convergent synthesis approach is more efficient than a divergent pathway. Dendritic squaraine rotaxanes with peripheral amine groups can be further functionalized to produce multivalent deep-red fluorescent derivatives that exhibit high brightness and outstanding chemical stability in biological solution. The surface groups on these functionalized fluorescent dendrimers include guanidinium, mannose, and phosphatidylcholine.

  DOI：

  10.1021/ol902546m
• 作为产物：
  描述：

  N,N'-二叔丁氧羰基-L-赖氨酸 N-丁二酰亚胺酯 、 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 di-tert-butyl ((10S,17S,20S)-17-((3-azidopropyl)carbamoyl)-10-((tert-butoxycarbonyl)amino)-2,2-dimethyl-4,11,19-trioxo-3-oxa-5,12,18-triazatetracosane-20,24-diyl)dicarbamate
  参考文献：
  名称：

  Efficient Synthesis of Fluorescent Squaraine Rotaxane Dendrimers

  摘要：

  A squaraine rotaxane scaffold with four alkyne groups is readily converted into a range of dendritic architectures using high-yielding copper-catalyzed alkyne azide cycloaddition (CuAAC) chemistry. A convergent synthesis approach is more efficient than a divergent pathway. Dendritic squaraine rotaxanes with peripheral amine groups can be further functionalized to produce multivalent deep-red fluorescent derivatives that exhibit high brightness and outstanding chemical stability in biological solution. The surface groups on these functionalized fluorescent dendrimers include guanidinium, mannose, and phosphatidylcholine.

  DOI：

  10.1021/ol902546m