methyl (2Z,4E)-5-[6'-(3''-tert-butyldimethylsilanyloxypropoxy)-2',2'-dimethyl-1'-hydroxy-1',2',3',4'-tetrahydronaphthalen-1'-yl]-3-methylpenta-2,4-dienoate | 846040-14-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: methyl (2Z,4E)-5-[6'-(3''-tert-butyldimethylsilanyloxypropoxy)-2',2'-dimethyl-1'-hydroxy-1',2',3',4'-tetrahydronaphthalen-1'-yl]-3-methylpenta-2,4-dienoate
• CAS: 846040-14-0
• 化学式: C₂₈H₄₄O₅Si
• 分子量: 488.74
• InChiKey: AQDRQXOZLAIRLH-ZPQHILPKSA-N

物化性质

• 沸点：
  559.4±50.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.31
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  64.99
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  methyl (2Z,4E)-5-[6'-(3''-tert-butyldimethylsilanyloxypropoxy)-2',2'-dimethyl-1'-hydroxy-1',2',3',4'-tetrahydronaphthalen-1'-yl]-3-methylpenta-2,4-dienoate 在 叔丁基过氧化氢 、 重铬酸吡啶 作用下， 以 苯 为溶剂， 生成 methyl (-)-(2Z,4E)-5-[6'-(3''-tert-butyldimethylsilanyloxypropoxy)-2',2'-dimethyl-1'-hydroxy-4'-oxo-1',2',3',4'-tetrahydronaphthalen-1'-yl]-3-methylpenta-2,4-dienoate
  参考文献：
  名称：

  An Affinity Probe for Isolation of Abscisic Acid-Binding Proteins

  摘要：

  An affinity probe has been developed for isolation of receptor proteins that bind the plant hormone abscisic acid (ABA). The structural features required for biological activity have been preserved, and the probe has been demonstrated to bind to known ABA-binding proteins.

  DOI：

  10.1021/ja0429059
• 作为产物：
  描述：

  6-(3'-tert-butyldimethylsilanyloxypropoxy)-2,2-dimethyl-1-[(Z)-5''-hydroxy-3''-methylpent-3''-en-1''-ynyl]-1,2,3,4-tetrahydronaphthalen-1-ol 在 manganese(IV) oxide 、 氰化钠 、 溶剂黄146 、 红铝 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 6.0h， 生成 methyl (2Z,4E)-5-[6'-(3''-tert-butyldimethylsilanyloxypropoxy)-2',2'-dimethyl-1'-hydroxy-1',2',3',4'-tetrahydronaphthalen-1'-yl]-3-methylpenta-2,4-dienoate
  参考文献：
  名称：

  An Affinity Probe for Isolation of Abscisic Acid-Binding Proteins

  摘要：

  An affinity probe has been developed for isolation of receptor proteins that bind the plant hormone abscisic acid (ABA). The structural features required for biological activity have been preserved, and the probe has been demonstrated to bind to known ABA-binding proteins.

  DOI：

  10.1021/ja0429059