6-[(S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(tert-butyl-dimethyl-silanyloxy)-propyl]-8-(tert-butyl-dimethyl-silanyloxy)-quinoline | 834906-33-1

• 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: 6-[(S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(tert-butyl-dimethyl-silanyloxy)-propyl]-8-(tert-butyl-dimethyl-silanyloxy)-quinoline
• CAS: 834906-33-1
• 化学式: C₄₅H₅₉NO₅Si₂
• 分子量: 750.138
• InChiKey: SMGIZOCFRZNWBV-FAIXQHPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.58
• 重原子数：
  53.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  59.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-[(S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(tert-butyl-dimethyl-silanyloxy)-propyl]-8-(tert-butyl-dimethyl-silanyloxy)-quinoline 在 4-二甲氨基吡啶 、 四丁基氟化铵 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 吡啶 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 2,2-Dimethyl-propionic acid 6-{(S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-propyl}-quinolin-8-yl ester
  参考文献：
  名称：

  An Extremely Stable and Orthogonal DNA Base Pair with a Simplified Three-Carbon Backbone

  摘要：

  A nucleotide C3HQ with a minimal three-carbon backbone displays unprecedented pairing strength and orthogonality in a homopair C3HQ:C3HQ in the presence of one equivalent of Cu2+. The pairing stability in DNA even exceeds the related base pair having the regular 2'-deoxyribose backbone. This discovery of a synergy between an artificial backbone and base-pairing scheme opens new avenues for the economical design of modified oligonucleotides with tailored properties.

  DOI：

  10.1021/ja043904j
• 作为产物：
  描述：

  6-溴-8-甲氧基喹啉 在 咪唑 、 4-二甲氨基吡啶 、 氢溴酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 6-[(S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(tert-butyl-dimethyl-silanyloxy)-propyl]-8-(tert-butyl-dimethyl-silanyloxy)-quinoline
  参考文献：
  名称：

  An Extremely Stable and Orthogonal DNA Base Pair with a Simplified Three-Carbon Backbone

  摘要：

  A nucleotide C3HQ with a minimal three-carbon backbone displays unprecedented pairing strength and orthogonality in a homopair C3HQ:C3HQ in the presence of one equivalent of Cu2+. The pairing stability in DNA even exceeds the related base pair having the regular 2'-deoxyribose backbone. This discovery of a synergy between an artificial backbone and base-pairing scheme opens new avenues for the economical design of modified oligonucleotides with tailored properties.

  DOI：

  10.1021/ja043904j