N-benzyl-4-(N-methyl-4-(N-methyl-4-(4-nitro-1-naphthamido)-1-naphthamido)-1-naphthamido)-N-phenyl-1-naphthamide | 1271739-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-benzyl-4-(N-methyl-4-(N-methyl-4-(4-nitro-1-naphthamido)-1-naphthamido)-1-naphthamido)-N-phenyl-1-naphthamide
• CAS: 1271739-32-2
• 化学式: C₅₉H₄₃N₅O₆
• 分子量: 918.02
• InChiKey: YGIKMRYXWRUFMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.86
• 重原子数：
  70.0
• 可旋转键数：
  11.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  133.17
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-benzyl-4-(N-methyl-4-(N-methyl-4-(4-nitro-1-naphthamido)-1-naphthamido)-1-naphthamido)-N-phenyl-1-naphthamide 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.25h， 以53%的产率得到N-[4-[benzyl(phenyl)carbamoyl]naphthalen-1-yl]-N-methyl-4-[methyl-[4-[methyl-(4-nitronaphthalene-1-carbonyl)amino]naphthalene-1-carbonyl]amino]naphthalene-1-carboxamide
  参考文献：
  名称：

  Conformational studies of tertiary oligo-m-benzanilides and oligo-p-benzanilides in solution

  摘要：

  A series of oligo-m- and p-benzanilides were made and their conformations in solution were studied by NMR. In most cases, conformational mixtures were observed as soon as three or more monomers were incorporated into the oligomer. Some crystal structures were obtained, which indicated that helical conformations were adopted in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.037
• 作为产物：
  描述：

  4-amino-N-(4-((4-(benzyl(phenyl)carbamoyl)naphthalen-1-yl)(methyl)carbamoyl)naphthalen-1-yl)-N-methyl-1-naphthamide 、 4-nitro-1-nathphoyl chloride 以 二氯甲烷 为溶剂， 以76%的产率得到N-benzyl-4-(N-methyl-4-(N-methyl-4-(4-nitro-1-naphthamido)-1-naphthamido)-1-naphthamido)-N-phenyl-1-naphthamide
  参考文献：
  名称：

  Conformational studies of tertiary oligo-m-benzanilides and oligo-p-benzanilides in solution

  摘要：

  A series of oligo-m- and p-benzanilides were made and their conformations in solution were studied by NMR. In most cases, conformational mixtures were observed as soon as three or more monomers were incorporated into the oligomer. Some crystal structures were obtained, which indicated that helical conformations were adopted in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.037