{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 | 1175002-76-2

• 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-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
• CAS: 1175002-76-2
• 化学式: C₆₀H₁₀₇N₉O₁₂
• 分子量: 1146.56
• InChiKey: RKVCFRGCVIZSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  81.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  209.74
• 氢给体数：
  1.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  {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 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 48.0h， 以97%的产率得到{4,10-bis-carboxymethyl-7-[3-nitro-5-(4,7,10-tris-carboxymethyl-1,4,7,10-tetraazacyclododec-1-ylmethyl)-benzyl]-1,4,7,10tetraaza-cyclododec-1-yl}acetic acid tris(trifluoroacetate)
  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：

  {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