{4-tert-butoxycarbonylmethyl-7-[3-nitro-5-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-ylmethyl)-benzyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid tert-butyl ester | 1175002-75-1

• 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: {4-tert-butoxycarbonylmethyl-7-[3-nitro-5-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-ylmethyl)-benzyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid tert-butyl ester
• CAS: 1175002-75-1
• 化学式: C₆₀H₁₀₅N₉O₁₄
• 分子量: 1176.55
• InChiKey: SUZQLRCRNPFFJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  83.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  226.86
• 氢给体数：
  0.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  {4-tert-butoxycarbonylmethyl-7-[3-nitro-5-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-ylmethyl)-benzyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid tert-butyl ester 在 palladium 10% on activated carbon 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以75%的产率得到{4-tert-butoxycarbonylmethyl-7-[3-amino-5-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-ylmethyl)-benzyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid tert-butyl esterpropionic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and Spectroscopic Studies on Azo-Dye Derivatives of Polymetallic Lanthanide Complexes: Using Diazotization to Link Metal Complexes Together

  摘要：

  Heteronuclear tetrametallic lanthanide complexes have been synthesized from stable complexes by diazotization and azo-compound formation. Luminescence spectroscopy has been used to show that the complexes used as building blocks are stable under the reaction conditions.

  DOI：

  10.1021/ja904362f
• 作为产物：
  描述：

  1,3-二溴甲基-5-硝基苯 、 1,4,7,10-四氮杂环十二烷-1,4,7-三乙酸三叔丁酯 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以50%的产率得到{4-tert-butoxycarbonylmethyl-7-[3-nitro-5-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-ylmethyl)-benzyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and Spectroscopic Studies on Azo-Dye Derivatives of Polymetallic Lanthanide Complexes: Using Diazotization to Link Metal Complexes Together

  摘要：

  Heteronuclear tetrametallic lanthanide complexes have been synthesized from stable complexes by diazotization and azo-compound formation. Luminescence spectroscopy has been used to show that the complexes used as building blocks are stable under the reaction conditions.

  DOI：

  10.1021/ja904362f