11,17,23-Tritert-butyl-4-nitro-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-amine | 955370-28-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,17,23-Tritert-butyl-4-nitro-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-amine
• CAS: 955370-28-2
• 化学式: C₅₂H₇₂N₂O₆
• 分子量: 821.153
• InChiKey: UCVSUJKEQUBCDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  60
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  11,17,23-Tritert-butyl-4-nitro-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-amine 在 镍 、 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 11,17,23-Tritert-butyl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-4,5-diamine
  参考文献：
  名称：

  Synthesis and structures of novel enantiopure inherently chiral calix[4]arene-derived salphen ligands and their transition-metal complexes

  摘要：

  Synthesis and structures of two pairs of novel enantiopure inherently chiral calix[4]arene-derived salphen ligands were described. Several Zn2+, Ni2+, and Cu2+ complexes of the chiral ligands were also prepared, and their structures were characterized by NMR, IR, CID, and HRMS spectra. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2009.07.064
• 作为产物：
  描述：

  N-(11,17,23-tritert-butyl-4-nitro-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)acetamide 在 barium dihydroxide 、 正丁醇 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 以90%的产率得到11,17,23-Tritert-butyl-4-nitro-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-amine
  参考文献：
  名称：

  外消旋间硝基取代的固有手性氨基杯[4]芳烃的有效非酶动力学拆分。

  摘要：

  描述了以Boc-1-脯氨酸为酰化剂的外消旋间硝基取代的固有手性氨基杯[4]芳烃的有效非酶动力学拆分，为对位取代的氨基杯[4]的对映选择性合成提供了一种高效简便的方法。竞技场。

  DOI：

  10.1021/ol702884u

文献信息

• A New Approach to Enantiopure Inherently Chiral Calix[4]arenes:  Determination of Their Absolute Configurations
  作者：Zhen-Xiang Xu、Chun Zhang、Qi-Yu Zheng、Chuan-Feng Chen、Zhi-Tang Huang

  DOI：10.1021/ol701714q

  日期：2007.10.1

  A new approach to the synthesis of meta-substituted enantiopure inherently chiral calix[4]arenes by introducing L-Boc-proline as dual functions of the chiral auxiliary has been described. Moreover, the absolute configurations of the enantiomers were determined by CD spectra, X-ray crystallographic analysis, and the chemical derivative method.

  描述了一种通过引入L-Boc-脯氨酸作为手性助剂的双重功能来合成间位取代的对映体纯的手性杯[4]芳烃的新方法。此外，对映体的绝对构型通过CD光谱，X射线晶体学分析和化学衍生方法确定。