2,2-Dimethyl-propionic acid 6-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-quinolin-8-yl ester | 834906-29-5

• 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: 2,2-Dimethyl-propionic acid 6-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-quinolin-8-yl ester
• CAS: 834906-29-5
• 化学式: C₄₀H₄₁NO₇
• 分子量: 647.768
• InChiKey: YZIXJWDAFHTVPH-GABYNLOESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  48.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  96.34
• 氢给体数：
  1.0
• 氢受体数：
  8.0

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-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-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77%的产率得到2,2-Dimethyl-propionic acid 6-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-tetrahydro-furan-2-yl}-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-[(4S,5R)-4-(4-Methoxy-benzyloxy)-5-(4-methoxy-phenoxymethyl)-tetrahydro-furan-2-yl]-quinolin-8-ol 在 4-二甲氨基吡啶 三氟乙酸 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 2,2-Dimethyl-propionic acid 6-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-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