| 1384513-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• CAS: 1384513-30-7
• 化学式: C₆₆H₈₅N₁₅O₁₇
• 分子量: 1360.49
• InChiKey: YGLOULAHIPFZDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.81
• 重原子数：
  98.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  348.69
• 氢给体数：
  0.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  、 碘甲烷 以 乙腈 为溶剂， 反应 24.0h， 以92%的产率得到
  参考文献：
  名称：

  Synthesis of rhenium chelated MAG3 functionalized rosette nanotubes

  摘要：

  Rosette nanotubes (RNTs) are discrete nanostructures self-assembled from a guanine-cytosine hybrid motif (G Lambda C) under aqueous conditions. These materials have substantial design flexibility and a range of applications, which are partly attributed to their diverse surface functionalization. Given the potential for interesting properties resulting from a metal-RNT construct, here we describe an oxorhenium-functionalized RNT. More specifically, we present the synthesis of a twin G Lambda C motif expressing the mercaptoacetyl triglycine (MAG(3)) ligand. We then examine the chelation reaction of the MAG(3) with ReOCl3(PPh3)(2) and self-assemble the resulting ReO-MAG(3)-G Lambda C conjugate into RNTs under DMSO and aqueous conditions. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.090
• 作为产物：
  描述：

  、 N,N'-羰基二咪唑 以 四氢呋喃 为溶剂， 反应 48.0h， 以74%的产率得到
  参考文献：
  名称：

  Synthesis of rhenium chelated MAG3 functionalized rosette nanotubes

  摘要：

  Rosette nanotubes (RNTs) are discrete nanostructures self-assembled from a guanine-cytosine hybrid motif (G Lambda C) under aqueous conditions. These materials have substantial design flexibility and a range of applications, which are partly attributed to their diverse surface functionalization. Given the potential for interesting properties resulting from a metal-RNT construct, here we describe an oxorhenium-functionalized RNT. More specifically, we present the synthesis of a twin G Lambda C motif expressing the mercaptoacetyl triglycine (MAG(3)) ligand. We then examine the chelation reaction of the MAG(3) with ReOCl3(PPh3)(2) and self-assemble the resulting ReO-MAG(3)-G Lambda C conjugate into RNTs under DMSO and aqueous conditions. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.090