((2-Benzyloxy-ethyl)-{2-[(2-benzyloxy-ethyl)-tert-butoxycarbonyl-amino]-acetyl}-amino)-acetic acid ethyl ester | 693827-78-0

• 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: ((2-Benzyloxy-ethyl)-{2-[(2-benzyloxy-ethyl)-tert-butoxycarbonyl-amino]-acetyl}-amino)-acetic acid ethyl ester
• CAS: 693827-78-0
• 化学式: C₂₉H₄₀N₂O₇
• 分子量: 528.646
• InChiKey: ACQJXCIFHDVTQT-UHFFFAOYSA-N

物化性质

• 沸点：
  630.3±55.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  38.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  94.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ((2-Benzyloxy-ethyl)-{2-[(2-benzyloxy-ethyl)-tert-butoxycarbonyl-amino]-acetyl}-amino)-acetic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (2,4,5-Trichlorophenyl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]acetyl]-(2-phenylmethoxyethyl)amino]acetyl]-(2-phenylmethoxyethyl)amino]acetate
  参考文献：
  名称：

  Synthesis of N-substituted cyclic triglycines and their response to metal ions

  摘要：

  N,N',N"-Trisubstituted-cyclo-triglycines were synthesized. The major conformation of these compounds has C-3 symmetry, and the carbonyl groups and substituents on the nitrogen are inclined in the same direction. Their response to various metal ions was estimated by constructing ion-selective electrodes. Two of them responded selectively to Ca2+ over other cations, demonstrating that N,N',N"trisubstituted- cyclo-triglycines provide a new scaffold to act as host molecules. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.214
• 作为产物：
  描述：

  2-苄基-1-乙胺 在 sodium hydroxide 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 ((2-Benzyloxy-ethyl)-{2-[(2-benzyloxy-ethyl)-tert-butoxycarbonyl-amino]-acetyl}-amino)-acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis of N-substituted cyclic triglycines and their response to metal ions

  摘要：

  N,N',N"-Trisubstituted-cyclo-triglycines were synthesized. The major conformation of these compounds has C-3 symmetry, and the carbonyl groups and substituents on the nitrogen are inclined in the same direction. Their response to various metal ions was estimated by constructing ion-selective electrodes. Two of them responded selectively to Ca2+ over other cations, demonstrating that N,N',N"trisubstituted- cyclo-triglycines provide a new scaffold to act as host molecules. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.214

文献信息

• Synthesis, structures, and properties of nine-, twelve-, and eighteen-membered N-benzyloxyethyl cyclic α-peptoids
  作者：N. Maulucci、I. Izzo、G. Bifulco、A. Aliberti、C. De Cola、D. Comegna、C. Gaeta、A. Napolitano、C. Pizza、C. Tedesco、D. Flot、F. De Riccardis

  DOI：10.1039/b806508j

  日期：——

  N-Benzyloxyethyl cyclic α-peptoids of various size were prepared and their conformational features were investigated by means of computational, spectroscopic, and X-ray crystallographic studies.

  制备了不同大小的 N-苄氧基乙基环δ-哌啶，并通过计算、光谱和 X 射线晶体学研究对其构象特征进行了研究。