{4-[(3-tert-Butoxycarbonylamino-propylcarbamoyl)-methyl]-7-methoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid methyl ester | 182156-66-7

• 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: {4-[(3-tert-Butoxycarbonylamino-propylcarbamoyl)-methyl]-7-methoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid methyl ester
• CAS: 182156-66-7
• 化学式: C₂₄H₄₆N₆O₇
• 分子量: 530.665
• InChiKey: BCQRHTPHCRAOQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.13
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  141.78
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  {4-[(3-tert-Butoxycarbonylamino-propylcarbamoyl)-methyl]-7-methoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid methyl ester 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 以78%的产率得到{4-[(3-tert-Butoxycarbonylamino-propylcarbamoyl)-methyl]-7-carboxymethyl-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid
  参考文献：
  名称：

  Remarkable hydrolysis of phosphodiester by neutral lanthanide(III) DO3A complexes

  摘要：

  The hydrolysis of the 4-nitrophenyl phosphate ester of propylene glycol (HPNP) is catalyzed by neutral lanthanide(III) DO3A complexes. Hydrolysis experiments with complexes of modified ligands where the metal complex was positively charged did not yield in a significant increase of the rate constant. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00386-1
• 作为产物：
  描述：

  1,4,7,10-四氮杂环十二烷-1,7-二羧酸二苄酯 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 {4-[(3-tert-Butoxycarbonylamino-propylcarbamoyl)-methyl]-7-methoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl}-acetic acid methyl ester
  参考文献：
  名称：

  Remarkable hydrolysis of phosphodiester by neutral lanthanide(III) DO3A complexes

  摘要：

  The hydrolysis of the 4-nitrophenyl phosphate ester of propylene glycol (HPNP) is catalyzed by neutral lanthanide(III) DO3A complexes. Hydrolysis experiments with complexes of modified ligands where the metal complex was positively charged did not yield in a significant increase of the rate constant. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00386-1