N-(4-methoxytrityl)-benzotriazoyl-5-carboxylic acid-(6-tertbutyl-diphenyl-silanyloxy-hexyl)-amide | 337981-31-4

• 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: N-(4-methoxytrityl)-benzotriazoyl-5-carboxylic acid-(6-tertbutyl-diphenyl-silanyloxy-hexyl)-amide
• 英文别名: N-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-1-[(4-methoxyphenyl)-diphenylmethyl]benzotriazole-5-carboxamide
• CAS: 337981-31-4
• 化学式: C₄₉H₅₂N₄O₃Si
• 分子量: 773.062
• InChiKey: PAZXQMGGNBISAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.15
• 重原子数：
  57
• 可旋转键数：
  17
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4-methoxytrityl)-benzotriazoyl-5-carboxylic acid-(6-tertbutyl-diphenyl-silanyloxy-hexyl)-amide 在 Dowex H(+) 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以92%的产率得到1-[(4-Methoxy-phenyl)-diphenyl-methyl]-1H-benzotriazole-5-carboxylic acid (6-hydroxy-hexyl)-amide
  参考文献：
  名称：

  Synthesis of a benzotriazole phosphoramidite for attachment of oligonucleotides to metal surfaces

  摘要：

  A method for the addition of a benzotriazole moiety to the 5'-terminus of an oligonucleotide via phosphoramidite chemistry has been developed. Use of a monomethoxytrityl protecting group on the benzotriazole allowed fast on-column detritylation purification by reverse-phase HPLC. Surface enhanced Raman scattering (SERS) of the modified oligonucleotides was obtained from silver colloid. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00108-3
• 作为产物：
  描述：

  6-氨基-1-己醇 在 4-二甲氨基吡啶 、 N,N'-羰基二咪唑 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.33h， 生成 N-(4-methoxytrityl)-benzotriazoyl-5-carboxylic acid-(6-tertbutyl-diphenyl-silanyloxy-hexyl)-amide
  参考文献：
  名称：

  Synthesis of a benzotriazole phosphoramidite for attachment of oligonucleotides to metal surfaces

  摘要：

  A method for the addition of a benzotriazole moiety to the 5'-terminus of an oligonucleotide via phosphoramidite chemistry has been developed. Use of a monomethoxytrityl protecting group on the benzotriazole allowed fast on-column detritylation purification by reverse-phase HPLC. Surface enhanced Raman scattering (SERS) of the modified oligonucleotides was obtained from silver colloid. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00108-3