N6-<<1-(4-Methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-amino-1-hexanol | 149624-85-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N6-<<1-(4-Methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-amino-1-hexanol
• 英文别名: N⁶-<<1-(4-Methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-amino-1-hexanol
• CAS: 149624-85-1
• 化学式: C₃₁H₃₅N₃O₃
• 分子量: 497.637
• InChiKey: ZDURTDJARMOXFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  37.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.38
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N6-<<1-(4-Methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-amino-1-hexanol 在 吡啶 、 四氮唑 、 碘 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.59h， 生成 5'-O-(4,4'-Dimethoxytriphenylmethyl)thymidin-3'-yl N⁶-<<1-(4-methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-aminohexyl phosphate triethylammonium salt
  参考文献：
  名称：

  Synthesis and characterization of imidazoyl-linked synthons and 3'-conjugated thymidine derivatives

  摘要：

  The synthesis of the phosphoramidites and H-phosphonates of imidazoyl derivatives, including histidine and imidazoleacetic acid, blocked at the imidazole and amino groups and connected by a hexane linker arm, are described. These synthons have been used to synthesize novel 3'-conjugated thymidine derivatives using 5'-(dimethoxytrityl)thymidine. These synthons are being used to prepare oligonucleotides with terminal imidazole groups on the automatic synthesizer.

  DOI：

  10.1021/jo00069a022
• 作为产物：
  描述：

  4-甲氧基三苯基氯甲烷 在 吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 72.5h， 生成 N6-<<1-(4-Methoxytriphenylmethyl)imidazol-4-yl>acetyl>-6-amino-1-hexanol
  参考文献：
  名称：

  Synthesis and characterization of imidazoyl-linked synthons and 3'-conjugated thymidine derivatives

  摘要：

  The synthesis of the phosphoramidites and H-phosphonates of imidazoyl derivatives, including histidine and imidazoleacetic acid, blocked at the imidazole and amino groups and connected by a hexane linker arm, are described. These synthons have been used to synthesize novel 3'-conjugated thymidine derivatives using 5'-(dimethoxytrityl)thymidine. These synthons are being used to prepare oligonucleotides with terminal imidazole groups on the automatic synthesizer.

  DOI：

  10.1021/jo00069a022