N-[9-azido-1-[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-oxononan-4-yl]-4-[[4-[1,7-bis[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]-1,7-dihydroxyheptan-4-yl]imino-1,4-dihydroxybutylidene]amino]-N'-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]heptanediimidic acid | 942620-37-3

• 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: N-[9-azido-1-[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-oxononan-4-yl]-4-[[4-[1,7-bis[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]-1,7-dihydroxyheptan-4-yl]imino-1,4-dihydroxybutylidene]amino]-N'-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]heptanediimidic acid
• CAS: 942620-37-3
• 化学式: C₁₅₄H₂₆₇N₁₁O₄₂
• 分子量: 2944.86
• InChiKey: NKLOILQPVOXTMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.3
• 重原子数：
  207
• 可旋转键数：
  120
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  722
• 氢给体数：
  8
• 氢受体数：
  52

反应信息

• 作为反应物：
  描述：

  N-[9-azido-1-[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-oxononan-4-yl]-4-[[4-[1,7-bis[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]-1,7-dihydroxyheptan-4-yl]imino-1,4-dihydroxybutylidene]amino]-N'-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]heptanediimidic acid 、 3,5-二甲氧基苯乙炔 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 0.17h， 以97%的产率得到
  参考文献：
  名称：

  Monofunctionalization of Dendrimers with Use of Microwave−Assisted 1,3-Dipolar Cycloadditions

  摘要：

  Monofunctionalized polyamide-based dendrimers containing either a terminal azide or alkyne moiety have been designed and synthesized via a convergent synthetic approach. The monofunctionalization allows for the single attachment of a functional moiety in quantitative yields by using 1,3-dipolar cycloadditions, thereby opening the possibility for targeted dendrimer functionalization.

  DOI：

  10.1021/ol062949h
• 作为产物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以99%的产率得到N-[9-azido-1-[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-oxononan-4-yl]-4-[[4-[1,7-bis[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]-1,7-dihydroxyheptan-4-yl]imino-1,4-dihydroxybutylidene]amino]-N'-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-4-[3-[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]imino-3-hydroxypropyl]heptanediimidic acid
  参考文献：
  名称：

  Monofunctionalization of Dendrimers with Use of Microwave−Assisted 1,3-Dipolar Cycloadditions

  摘要：

  Monofunctionalized polyamide-based dendrimers containing either a terminal azide or alkyne moiety have been designed and synthesized via a convergent synthetic approach. The monofunctionalization allows for the single attachment of a functional moiety in quantitative yields by using 1,3-dipolar cycloadditions, thereby opening the possibility for targeted dendrimer functionalization.

  DOI：

  10.1021/ol062949h

文献信息

• Monofunctionalization of Dendrimers with Use of Microwave−Assisted 1,3-Dipolar Cycloadditions
  作者：Kunsang Yoon、Poorva Goyal、Marcus Weck

  DOI：10.1021/ol062949h

  日期：2007.5.1

  Monofunctionalized polyamide-based dendrimers containing either a terminal azide or alkyne moiety have been designed and synthesized via a convergent synthetic approach. The monofunctionalization allows for the single attachment of a functional moiety in quantitative yields by using 1,3-dipolar cycloadditions, thereby opening the possibility for targeted dendrimer functionalization.