Tritert-butyl 11-[5-[11-(5-ethoxy-5-oxopentyl)-4,8-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-5-oxopentanoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate | 203568-20-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Tritert-butyl 11-[5-[11-(5-ethoxy-5-oxopentyl)-4,8-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-5-oxopentanoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
• CAS: 203568-20-1
• 化学式: C₅₇H₁₀₄N₈O₁₄
• 分子量: 1125.5
• InChiKey: PSRXNDBZATZVIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  79
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  218
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  Tritert-butyl 11-[5-[11-(5-ethoxy-5-oxopentyl)-4,8-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-5-oxopentanoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 5-[11-[5-Oxo-5-(1,4,8,11-tetrazacyclotetradec-1-yl)pentanoyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentanoic acid
  参考文献：
  名称：

  Syntheses of new unsymmetrical bispolyazamacrocycles

  摘要：

  We report the synthesis of an original unsymmetrical bismacrocycle bearing a carboxylic side-arm. Two different synthetic pathways were investigated, both involving a Schotten-Baumann like reaction. The first route allowed us to obtain a mixture of compounds whilst the second one was direct and non-ambiguous. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10748-1
• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 在 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 生成 Tritert-butyl 11-[5-[11-(5-ethoxy-5-oxopentyl)-4,8-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-5-oxopentanoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
  参考文献：
  名称：

  Syntheses of new unsymmetrical bispolyazamacrocycles

  摘要：

  We report the synthesis of an original unsymmetrical bismacrocycle bearing a carboxylic side-arm. Two different synthetic pathways were investigated, both involving a Schotten-Baumann like reaction. The first route allowed us to obtain a mixture of compounds whilst the second one was direct and non-ambiguous. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10748-1

文献信息

• Syntheses of new unsymmetrical bispolyazamacrocycles
  作者：J. Dessolin、G. Quéléver、M. Camplo、J.L. Kraus

  DOI：10.1016/s0040-4039(97)10748-1

  日期：1998.2

  We report the synthesis of an original unsymmetrical bismacrocycle bearing a carboxylic side-arm. Two different synthetic pathways were investigated, both involving a Schotten-Baumann like reaction. The first route allowed us to obtain a mixture of compounds whilst the second one was direct and non-ambiguous. (C) 1998 Elsevier Science Ltd. All rights reserved.