(1S,2S,3S,3aR,4R,5S,7aS)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-3-hydroxy-2,6-dimethyl-1-triisopropylsilanyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester | 443791-90-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2S,3S,3aR,4R,5S,7aS)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-3-hydroxy-2,6-dimethyl-1-triisopropylsilanyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester
• 英文别名: methyl (1S,2S,3S,3aR,4R,5S,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,6-dimethyl-1-tri(propan-2-yl)silyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
• CAS: 443791-90-0
• 化学式: C₂₉H₅₆O₅Si₂
• 分子量: 540.932
• InChiKey: KOXFFJNQNRSLFV-HKDAMRIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,2S,3S,3aR,4R,5S,7aS)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-3-hydroxy-2,6-dimethyl-1-triisopropylsilanyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester 在 二异丁基氢化铝 、 碳酸氢钠 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 (1R,2S,3S,3aS,6S,7R,7aS)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-7-hydroxymethyl-2,5-dimethyl-3-triisopropylsilanyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
  参考文献：
  名称：

  Synthetic studies on FR182877: an asymmetric synthesis of the AB ring moiety of FR182877 via a diastereoselective intramolecular Diels–Alder reaction

  摘要：

  An asymmetric synthesis of the AB ring moiety of FR182877. possessing semen asymmetric centers. via a diastereoselective IMDA reaction is described, (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00536-1
• 作为产物：
  描述：

  methyl (2E,4S,5S,6S,7E,9E)-11-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,9-dimethyl-6-tri(propan-2-yl)silyloxyundeca-2,7,9-trienoate 在 2,6-二叔丁基-4-甲基苯酚 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 (1S,2S,3S,3aR,4R,5S,7aS)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-3-hydroxy-2,6-dimethyl-1-triisopropylsilanyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthetic studies on FR182877: an asymmetric synthesis of the AB ring moiety of FR182877 via a diastereoselective intramolecular Diels–Alder reaction

  摘要：

  An asymmetric synthesis of the AB ring moiety of FR182877. possessing semen asymmetric centers. via a diastereoselective IMDA reaction is described, (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00536-1