Benzoic acid (2S,4S,4'R)-2',2'-dimethyl-[4,4']BI[[1,3]dioxolanyl]-2-ylmethyl ester | 145354-79-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzoic acid (2S,4S,4'R)-2',2'-dimethyl-[4,4']BI[[1,3]dioxolanyl]-2-ylmethyl ester
• 英文别名: [(2S,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]methyl benzoate
• CAS: 145354-79-6
• 化学式: C₁₆H₂₀O₆
• 分子量: 308.331
• InChiKey: PDYNSSGHLKHKEP-MJBXVCDLSA-N

物化性质

• 沸点：
  401.5±40.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2S,4S,4'R)-2',2'-dimethyl-[4,4']BI[[1,3]dioxolanyl]-2-ylmethyl ester 在 ruthenium(IV) oxide sodium periodate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 四氯化碳 、 水 、 乙腈 为溶剂， 生成 (2S)-4-acetoxy-2-(benzoyloxymethyl)-1,3-dioxolane
  参考文献：
  名称：

  Potent anti-HIV and anti-HBV activities of (−)-L-β-dioxolane-C and (+)-L-β-dioxolane-T and their asymmetric syntheses.

  摘要：

  The asymmetric syntheses of (+)-L-beta-dioxolane-T and (-)-L-beta-dioxolane-C were accomplished starting from 1,6-anhydro-L-beta-gulopyranose, and their anti-HIV and anti-HBV activities were evaluated in human PBM cells, CEM cells and 2.2.15 cells, respectively.

  DOI：

  10.1016/s0040-4039(00)60890-0
• 作为产物：
  描述：

  (R)-1-((2S,4S)-2-Hydroxymethyl-[1,3]dioxolan-4-yl)-ethane-1,2-diol 在 吡啶 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 Benzoic acid (2S,4S,4'R)-2',2'-dimethyl-[4,4']BI[[1,3]dioxolanyl]-2-ylmethyl ester
  参考文献：
  名称：

  Potent anti-HIV and anti-HBV activities of (−)-L-β-dioxolane-C and (+)-L-β-dioxolane-T and their asymmetric syntheses.

  摘要：

  The asymmetric syntheses of (+)-L-beta-dioxolane-T and (-)-L-beta-dioxolane-C were accomplished starting from 1,6-anhydro-L-beta-gulopyranose, and their anti-HIV and anti-HBV activities were evaluated in human PBM cells, CEM cells and 2.2.15 cells, respectively.

  DOI：

  10.1016/s0040-4039(00)60890-0