{(1R,2R,3aS,4S,5R,7aS)-1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl}-methanol | 623151-56-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: {(1R,2R,3aS,4S,5R,7aS)-1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl}-methanol
• CAS: 623151-56-4
• 化学式: C₃₅H₅₄O₃Si₂
• 分子量: 578.983
• InChiKey: NNJNWMQPWKGRCU-PHSFVEOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.41
• 重原子数：
  40.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  {(1R,2R,3aS,4S,5R,7aS)-1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl}-methanol 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 (1R,2R,3aR,4S,5R,7aS)-1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbaldehyde
  参考文献：
  名称：

  Probing the Lewis Acid-Catalyzed Intramolecular Diels−Alder Cyclizations of Allylic Alkoxy-Substituted (Z)-1,3-Dienes

  摘要：

  The Lewis acid-promoted Diels-Aider reaction of (E,Z,E)-trienal 1 provides not only the expected cis-fused cycloadduct 16 but also the transfused products 17 and 18. Trans-fused cycloadducts 17 and 18 are also products of the Lewis acid-promoted cyclization of (E,Z,E)-trienyl acetal 2. These products presumably derive from a stepwise cyclization pathway.

  DOI：

  10.1021/ol035900+
• 作为产物：
  描述：

  1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 以5.0 mg的产率得到{(1R,2R,3aS,4S,5R,7aS)-1-(tert-Butyl-dimethyl-silanyloxy)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl}-methanol
  参考文献：
  名称：

  Probing the Lewis Acid-Catalyzed Intramolecular Diels−Alder Cyclizations of Allylic Alkoxy-Substituted (Z)-1,3-Dienes

  摘要：

  The Lewis acid-promoted Diels-Aider reaction of (E,Z,E)-trienal 1 provides not only the expected cis-fused cycloadduct 16 but also the transfused products 17 and 18. Trans-fused cycloadducts 17 and 18 are also products of the Lewis acid-promoted cyclization of (E,Z,E)-trienyl acetal 2. These products presumably derive from a stepwise cyclization pathway.

  DOI：

  10.1021/ol035900+