2,2-bis-(tert-butyl-dimethyl-silanyloxymethyl)-1-methyl-4-oxo-butyl acetate | 1245906-87-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-bis-(tert-butyl-dimethyl-silanyloxymethyl)-1-methyl-4-oxo-butyl acetate
• CAS: 1245906-87-9
• 化学式: C₂₁H₄₄O₅Si₂
• 分子量: 432.748
• InChiKey: HINTYDWOMGBAIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,2-bis-(tert-butyl-dimethyl-silanyloxymethyl)-1-methyl-4-oxo-butyl acetate 在 甲醇 、 sodium methylate 作用下， 反应 4.0h， 以84%的产率得到4,4-bis-(tert-butyl-dimethyl-silanyloxymethyl)-5-methyl-tetrahydro-furan-2-ol
  参考文献：
  名称：

  Synthesis and In Vitro Activity of 4′ and 5′-Modified Analogues of Apiosyl Nucleosides as Potent Anti-HCV Agents

  摘要：

  Novel doubly branched apio dideoxynucleosides were synthesized starting from 1,3-dihydroxyacetone using an ozonolysis and Grignard addition as key steps, and evaluated for anti-hepatitis C virus (HCV) activity. The adenine derivative 24 showed significant anti-HCV activity, indicating that the branches at the 4',5'-position of the apiosyl ring led to favorable interaction with HCV polymerase.

  DOI：

  10.1080/15257770903396725
• 作为产物：
  描述：

  2,2-bis-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-1-methyl-butyl acetate 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到2,2-bis-(tert-butyl-dimethyl-silanyloxymethyl)-1-methyl-4-oxo-butyl acetate
  参考文献：
  名称：

  Synthesis and In Vitro Activity of 4′ and 5′-Modified Analogues of Apiosyl Nucleosides as Potent Anti-HCV Agents

  摘要：

  Novel doubly branched apio dideoxynucleosides were synthesized starting from 1,3-dihydroxyacetone using an ozonolysis and Grignard addition as key steps, and evaluated for anti-hepatitis C virus (HCV) activity. The adenine derivative 24 showed significant anti-HCV activity, indicating that the branches at the 4',5'-position of the apiosyl ring led to favorable interaction with HCV polymerase.

  DOI：

  10.1080/15257770903396725