[(3S,5R,6S)-3-(tert-Butyl-dimethyl-silanyloxy)-6-methyl-5-triisopropylsilanyloxy-oct-7-enyloxymethyl]-benzene | 221627-52-7

• 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: [(3S,5R,6S)-3-(tert-Butyl-dimethyl-silanyloxy)-6-methyl-5-triisopropylsilanyloxy-oct-7-enyloxymethyl]-benzene
• CAS: 221627-52-7
• 化学式: C₃₁H₅₈O₃Si₂
• 分子量: 534.971
• InChiKey: ORLXNHCTZWTAFU-LOAGWBBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.76
• 重原子数：
  36.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [(3S,5R,6S)-3-(tert-Butyl-dimethyl-silanyloxy)-6-methyl-5-triisopropylsilanyloxy-oct-7-enyloxymethyl]-benzene 在 4-甲基苯磺酸吡啶 、 copper dichloride 、 palladium dichloride 作用下， 以 乙醇 为溶剂， 生成 methyl 2-[(2R,3S,4R,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
  参考文献：
  名称：

  Intramolecular palladium catalyzed alkoxy carbonylation of 6-hydroxy-1-octenes. Stereoselective synthesis of substituted tetrahydropyrans

  摘要：

  The reaction of hydroxy alkenes 5, 7, and 8 with CO and MeOH in the presence of PdCl2 and CuCl2 gave tetrahydropyrans 9, 11, and 12, respectively. Yields were dependent upon the configuration of substituents in the hydroxy alkene; in all cases, the tetrahydropyran was produced with 2,6-cis configuration. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02693-8
• 作为产物：
  描述：

  异丁基(3S)-5-苄氧基-3-羟基戊酸酯 在 2,6-二甲基吡啶 、 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 [(3S,5R,6S)-3-(tert-Butyl-dimethyl-silanyloxy)-6-methyl-5-triisopropylsilanyloxy-oct-7-enyloxymethyl]-benzene
  参考文献：
  名称：

  Intramolecular palladium catalyzed alkoxy carbonylation of 6-hydroxy-1-octenes. Stereoselective synthesis of substituted tetrahydropyrans

  摘要：

  The reaction of hydroxy alkenes 5, 7, and 8 with CO and MeOH in the presence of PdCl2 and CuCl2 gave tetrahydropyrans 9, 11, and 12, respectively. Yields were dependent upon the configuration of substituents in the hydroxy alkene; in all cases, the tetrahydropyran was produced with 2,6-cis configuration. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02693-8