N-methyl-N'-(N-(2-hydroxy-1-hydroxymethyl-ethyl)-acetamide)-1,4,5,8-naphthalenetetracarboxylic diimide | 496811-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-methyl-N'-(N-(2-hydroxy-1-hydroxymethyl-ethyl)-acetamide)-1,4,5,8-naphthalenetetracarboxylic diimide
• 英文别名: N-(1,3-dihydroxypropan-2-yl)-2-(13-methyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)acetamide
• CAS: 496811-51-9
• 化学式: C₂₀H₁₇N₃O₇
• 分子量: 411.371
• InChiKey: MBPRORNWLXIHGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-methyl-N'-(N-(2-hydroxy-1-hydroxymethyl-ethyl)-acetamide)-1,4,5,8-naphthalenetetracarboxylic diimide 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropan-2-yl]-2-(13-methyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)acetamide
  参考文献：
  名称：

  New ligand combinations for the efficient stabilization of short nucleic acid hairpins

  摘要：

  Short nucleic acid hairpins (one or two base-pair stems) were strongly stabilized by simple chemical modifications. Non-nucleosidic pyrene or naphtalene diimide derivatives were appended at both 3' and 5' nearby ends of 2'-OMe RNA hairpins, yielding a very large increase in melting temperatures of the modified structures (from +21 to +55degreesC). The excimer formation between the two consecutive pyrene units is in favor of end-stacked pyrenyl rings. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00876-1
• 作为产物：
  描述：

  1,4,5,8-萘四甲酸酐 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 N-methyl-N'-(N-(2-hydroxy-1-hydroxymethyl-ethyl)-acetamide)-1,4,5,8-naphthalenetetracarboxylic diimide
  参考文献：
  名称：

  New ligand combinations for the efficient stabilization of short nucleic acid hairpins

  摘要：

  Short nucleic acid hairpins (one or two base-pair stems) were strongly stabilized by simple chemical modifications. Non-nucleosidic pyrene or naphtalene diimide derivatives were appended at both 3' and 5' nearby ends of 2'-OMe RNA hairpins, yielding a very large increase in melting temperatures of the modified structures (from +21 to +55degreesC). The excimer formation between the two consecutive pyrene units is in favor of end-stacked pyrenyl rings. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00876-1