Ethyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoyl]amino]propyl]benzoate | 349560-00-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoyl]amino]propyl]benzoate
• CAS: 349560-00-5
• 化学式: C₆₁H₉₂N₆O₁₂
• 分子量: 1101.43
• InChiKey: IPUFWDYITLCUJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  79
• 可旋转键数：
  37
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  238
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Ethyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoyl]amino]propyl]benzoate 在 氢氧化钾 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 12.0h， 以84.3%的产率得到3,5-bis{3-[3,5-bis(3-tert-butyloxycarbonylamino-propyl)benzoylamino]propyl}benzoic acid
  参考文献：
  名称：

  Amino-Functionalized, Second-Generation Dendritic Building Blocks

  摘要：

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.

  DOI：

  10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2
• 作为产物：
  描述：

  Ethyl 3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate 在 氢氧化钾 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 水 为溶剂， 反应 20.0h， 生成 Ethyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoyl]amino]propyl]benzoate
  参考文献：
  名称：

  Amino-Functionalized, Second-Generation Dendritic Building Blocks

  摘要：

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.

  DOI：

  10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2

文献信息

• Amino-Functionalized, Second-Generation Dendritic Building Blocks
  作者：Rainer Klopsch、Sabine Koch、A. Dieter Schlüter

  DOI：10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2

  日期：1998.7

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.