(((1R,3S,Z)-5-(2-((1R,3aS,6S,7aR,E)-6-(but-3-en-1-yl)-7a-methyl-1-((R)-6-methyl-6-((triethylsilyl)oxy)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane) | 249928-69-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (((1R,3S,Z)-5-(2-((1R,3aS,6S,7aR,E)-6-(but-3-en-1-yl)-7a-methyl-1-((R)-6-methyl-6-((triethylsilyl)oxy)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)
• CAS: 249928-69-6
• 化学式: C₄₉H₉₂O₃Si₃
• 分子量: 813.524
• InChiKey: VQDNLDCEWPVSRS-OFSZJTRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.99
• 重原子数：
  55.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 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：

  (((1R,3S,Z)-5-(2-((1R,3aS,6S,7aR,E)-6-(but-3-en-1-yl)-7a-methyl-1-((R)-6-methyl-6-((triethylsilyl)oxy)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane) 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Design and Synthesis of a 1α,25-Dihydroxyvitamin D₃ Dimer as a Potential Chemical Inducer of Vitamin D Receptor Dimerization

  摘要：

  [GRAPHICS]A dimer comprising two 1 alpha,25-dihydroxyvitamin D-3 units linked by an alkyl side chain at C-11 was synthesized with a view to the simultaneous binding of two vitamin D receptor (VDR) molecules and the consequent induction of VDR dimerization, The short, convergent synthesis uses a stereoselective cuprate addition to introduce the linking side chain and a key ruthenium olefin metathesis as the dimerization step.

  DOI：

  10.1021/ol990878z
• 作为产物：
  描述：

  (1R,3aR,7aR)-1-[(1R)-1,5-二甲基-5-[(三乙基硅烷基)氧基]己基]八氢-7a-甲基-4H-茚-4-酮 在 palladium diacetate copper(l) iodide 、 正丁基锂 、 三甲基氯硅烷 、 三丁基膦 、 叔丁基锂 、 lithium diisopropyl amide 作用下， 生成 (((1R,3S,Z)-5-(2-((1R,3aS,6S,7aR,E)-6-(but-3-en-1-yl)-7a-methyl-1-((R)-6-methyl-6-((triethylsilyl)oxy)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)
  参考文献：
  名称：

  Design and Synthesis of a 1α,25-Dihydroxyvitamin D₃ Dimer as a Potential Chemical Inducer of Vitamin D Receptor Dimerization

  摘要：

  [GRAPHICS]A dimer comprising two 1 alpha,25-dihydroxyvitamin D-3 units linked by an alkyl side chain at C-11 was synthesized with a view to the simultaneous binding of two vitamin D receptor (VDR) molecules and the consequent induction of VDR dimerization, The short, convergent synthesis uses a stereoselective cuprate addition to introduce the linking side chain and a key ruthenium olefin metathesis as the dimerization step.

  DOI：

  10.1021/ol990878z