[(2R,4S,5S,10R)-8-hydroxy-11-[(4R,5R,6R)-5-(methoxymethoxy)-2,2-dimethyl-6-[[2-[(2S,4R)-4-methyl-5-tri(propan-2-yl)silyloxypentan-2-yl]-1,3-dithian-2-yl]methyl]-1,3-dioxan-4-yl]-2,4,10-trimethyl-6-methylidene-5-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate | 1147093-67-1

• 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: [(2R,4S,5S,10R)-8-hydroxy-11-[(4R,5R,6R)-5-(methoxymethoxy)-2,2-dimethyl-6-[[2-[(2S,4R)-4-methyl-5-tri(propan-2-yl)silyloxypentan-2-yl]-1,3-dithian-2-yl]methyl]-1,3-dioxan-4-yl]-2,4,10-trimethyl-6-methylidene-5-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
• CAS: 1147093-67-1
• 化学式: C₅₆H₁₀₀O₁₀S₂Si
• 分子量: 1025.62
• InChiKey: ISWIVURUDPFMNB-HUYSHHMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.84
• 重原子数：
  69
• 可旋转键数：
  33
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  162
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,2-Dimethyl-propionic acid (2R,4S,5S)-5-benzyloxymethoxy-2,4-dimethyl-6-tributylstannanylmethyl-hept-6-enyl ester 、 (3S)-4-[(4R,5R,6R)-5-(methoxymethoxy)-2,2-dimethyl-6-[[2-[(2S,4R)-4-methyl-5-tri(propan-2-yl)silyloxypentan-2-yl]-1,3-dithian-2-yl]methyl]-1,3-dioxan-4-yl]-3-methylbutanal 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以49%的产率得到[(2R,4S,5S,10R)-8-hydroxy-11-[(4R,5R,6R)-5-(methoxymethoxy)-2,2-dimethyl-6-[[2-[(2S,4R)-4-methyl-5-tri(propan-2-yl)silyloxypentan-2-yl]-1,3-dithian-2-yl]methyl]-1,3-dioxan-4-yl]-2,4,10-trimethyl-6-methylidene-5-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
  参考文献：
  名称：

  Synthesis of Open-Chain C21-C40 Fragment of Azaspiracid-1

  摘要：

  Here, we report a synthesis of a differentially protected, open-chain C21-C40 fragment of azaspiracid-1, corresponding to the lower half EFGHI-ring domain. The synthesis features modular coupling of three advanced intermediates, aiming for diverted analogue synthesis. A new method for construction of E-ring moiety amenable to the diverted synthesis is also reported.

  DOI：

  10.3987/com-08-11555