[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2S,3R)-3-[3-bromo-5-[(4-methoxyphenyl)methoxy]phenyl]-3-hydroxy-2-methylpropanoate | 1421341-65-2

• 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: [(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2S,3R)-3-[3-bromo-5-[(4-methoxyphenyl)methoxy]phenyl]-3-hydroxy-2-methylpropanoate
• CAS: 1421341-65-2
• 化学式: C₄₃H₄₆BrNO₇S
• 分子量: 800.811
• InChiKey: YQBSZGZIQDQFFE-SAGOFFFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  53
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2S,3R)-3-[3-bromo-5-[(4-methoxyphenyl)methoxy]phenyl]-3-hydroxy-2-methylpropanoate 在 2,6-二甲基吡啶 、 copper(l) iodide 、 二异丁基氢化铝 、 potassium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 N-[3-[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropyl]-5-[(4-methoxyphenyl)methoxy]phenyl]acetamide
  参考文献：
  名称：

  Toward a Total Synthesis of Divergolide A; Synthesis of the Amido Hydro- quinone Core and the C10–C15 Fragment

  摘要：

  A ring-closing metathesis (RCM) approach was envisioned for installing the E double bond at the C9 and C10 positions of divergolide A, isolated from a mangrove endophyte. Accordingly, the C10-C15 diene diol fragment and the amido hydroquinone core with the requisite functionalities and stereochemistry have been synthesized by using the norephedrine-based syn-selective glycolate aldol and the anti-selective aldol reactions, respectively. CuI-catalyzed amidation was employed to access the anilide intermediate, which was further transformed into the amido hydroquinone core.

  DOI：

  10.1055/s-0032-1317491
• 作为产物：
  描述：

  1,3-二溴-5-[(4-甲氧基苯基)甲氧基]苯 在 正丁基锂 、 三乙胺 、 双环己基(三氟甲烷磺酰氧基)硼烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2S,3R)-3-[3-bromo-5-[(4-methoxyphenyl)methoxy]phenyl]-3-hydroxy-2-methylpropanoate 、
  参考文献：
  名称：

  Toward a Total Synthesis of Divergolide A; Synthesis of the Amido Hydro- quinone Core and the C10–C15 Fragment

  摘要：

  A ring-closing metathesis (RCM) approach was envisioned for installing the E double bond at the C9 and C10 positions of divergolide A, isolated from a mangrove endophyte. Accordingly, the C10-C15 diene diol fragment and the amido hydroquinone core with the requisite functionalities and stereochemistry have been synthesized by using the norephedrine-based syn-selective glycolate aldol and the anti-selective aldol reactions, respectively. CuI-catalyzed amidation was employed to access the anilide intermediate, which was further transformed into the amido hydroquinone core.

  DOI：

  10.1055/s-0032-1317491