dioctyl 2-[[(4,4'-dimethoxytrityl)oxy]methyl]-2-(hydroxymethyl)malonate | 240495-14-1

• 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: dioctyl 2-[[(4,4'-dimethoxytrityl)oxy]methyl]-2-(hydroxymethyl)malonate
• CAS: 240495-14-1
• 化学式: C₄₂H₅₈O₈
• 分子量: 690.918
• InChiKey: VURUWLMEOHYKQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  50.0
• 可旋转键数：
  25.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  100.52
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 dioctyl 2-[[(4,4'-dimethoxytrityl)oxy]methyl]-2-(hydroxymethyl)malonate 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以84.5%的产率得到2-cyanoethyl 3-[(4,4'-dimethoxytrityl)oxy]-2,2-bis-(n-octyloxycarbonyl)propyl (N,N-diisopropylamino)phosphoramidite
  参考文献：
  名称：

  Solid support synthesis of ester linked hydrophobic conjugates of oligonucleotides

  摘要：

  Novel non-nucleosidic phosphoramidite building block 2 was employed for multiple modification of oligonucleotides with hydrophobic octyl groups. Hydrophobic sites are attached via potentially biodegradable ester bonds that are demonstrated to withstand the conditions of DNA deprotection. The chimeric oligonucleotides are capable of forming triple helix complexes that are stabilized by forming a hydrophobic clamp consisting of terminal octyl groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00501-3
• 作为产物：
  描述：

  丙二酸二辛酯 在 吡啶 、 三乙胺 作用下， 以 1,4-二氧六环 、 吡啶 、 水 为溶剂， 反应 6.0h， 生成 dioctyl 2-[[(4,4'-dimethoxytrityl)oxy]methyl]-2-(hydroxymethyl)malonate
  参考文献：
  名称：

  Solid support synthesis of ester linked hydrophobic conjugates of oligonucleotides

  摘要：

  Novel non-nucleosidic phosphoramidite building block 2 was employed for multiple modification of oligonucleotides with hydrophobic octyl groups. Hydrophobic sites are attached via potentially biodegradable ester bonds that are demonstrated to withstand the conditions of DNA deprotection. The chimeric oligonucleotides are capable of forming triple helix complexes that are stabilized by forming a hydrophobic clamp consisting of terminal octyl groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00501-3