2,2-Dimethyl-propionic acid 6-{(S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-quinolin-8-yl ester | 834906-36-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 2,2-Dimethyl-propionic acid 6-{(S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-quinolin-8-yl ester
• CAS: 834906-36-4
• 化学式: C₃₈H₃₉NO₆
• 分子量: 605.731
• InChiKey: XNHWMIBIIZEEMF-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.12
• 重原子数：
  45.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  87.11
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 2,2-Dimethyl-propionic acid 6-{(S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-quinolin-8-yl ester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以92%的产率得到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 、 四丁基氟化铵 、 氢溴酸 、 caesium carbonate 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 55.0h， 生成 2,2-Dimethyl-propionic acid 6-{(S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-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