4-[2-(tert-butoxycarbonylamino)-1-(tert-butoxycarbonylaminomethyl)ethyloxycarbonyl]benzoic acid | 503442-20-4

• 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: 4-[2-(tert-butoxycarbonylamino)-1-(tert-butoxycarbonylaminomethyl)ethyloxycarbonyl]benzoic acid
• 英文别名: 4-[1,3-Bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxycarbonyl]benzoic acid
• CAS: 503442-20-4
• 化学式: C₂₁H₃₀N₂O₈
• 分子量: 438.478
• InChiKey: NYJCDOPZYUVKJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[2-(tert-butoxycarbonylamino)-1-(tert-butoxycarbonylaminomethyl)ethyloxycarbonyl]benzoic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 51.0h， 生成
  参考文献：
  名称：

  Synthesis and properties of polyaromatic dendrimers possessing a repetitive amide–ester coupling sequence

  摘要：

  A series of novel polyaromatic dendrimers that feature tris-(2-ethylamino)amine as the central core unit has been synthesized up to the third generation by employing a convergent growth strategy. The building blocks 1,3-diamino-2-hydroxypropane and 4-carboxybenzaldehyde were used for dendron construction, a process that involved the cyclic repetition of esterification, oxidation and selective amidation steps. Molecular modelling of this class of dendrimers has been used to predict potential solution state conformations employing molecular mechanics and molecular dynamic simulations. In addition, the results of preliminary metal binding studies using the first generation dendritic system are also outlined. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00466-6
• 作为产物：
  描述：

  对醛基苯甲酸 在 potassium permanganate 、 N,N'-二环己基碳二亚胺 作用下， 生成 4-[2-(tert-butoxycarbonylamino)-1-(tert-butoxycarbonylaminomethyl)ethyloxycarbonyl]benzoic acid
  参考文献：
  名称：

  Synthesis of a novel class of chiral polyaromatic amide dendrimers bearing an amino acid derived C3-symmetric core

  摘要：

  Chiral polyaromatic amide dendrimers incorporating a C-3-core have been prepared as potential catalysts for asymmetric reactions. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02518-2

文献信息

• Chiral Poly(aromatic amide ester) Dendrimers Bearing an Amino Acid DerivedC3-Symmetric Core− Synthesis and Properties
  作者：Barbara Romagnoli、Ingrid van Baal、David W. Price、Laurence M. Harwood、Wayne Hayes

  DOI：10.1002/ejoc.200400390

  日期：2004.10

  of the central core can be transmitted to the distal region of the macromolecule. In addition to interest of a pure academic nature, the presence of such chiral conformational order would be extremely useful in the development of asymmetric catalysts. In this paper, a novel class of chiral dendrimers is described − these perfect hyperbranched macromolecules have been prepared by a convergent route by

  鉴于手性放大的提议，超支化大分子结构（树枝状聚合物）对手性的影响近年来受到了极大的关注。特别是，已经对包含手性核心和非手性分支的树枝状聚合物的手性特性进行了几项研究，以确定中心核心的手性是否可以传递到大分子的远端区域。除了纯学术性质的兴趣外，这种手性构象顺序的存在对于不对称催化剂的开发非常有用。在本文中，描述了一类新的手性树枝状聚合物——这些完美的超支化大分子是通过基于三（2-氨基乙基）胺和聚（芳香酰胺酯）树枝状分支的手性中心核的偶联，通过收敛途径制备的。这些树枝状聚合物的手性特性已经通过详细的旋光研究和圆二色性分析进行了研究；本文描述了这些研究的结果。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)