(R)-4-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)phenyl pivalate | 1189170-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (R)-4-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)phenyl pivalate
• CAS: 1189170-96-4
• 化学式: C₂₃H₃₀O₆Si
• 分子量: 430.573
• InChiKey: JNBVQRKKFGBSME-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-4-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)phenyl pivalate 、 苯胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Enantioselective Rhodium-Catalyzed Conjugate Alkynylation of 5-Benzylidene Meldrum’s Acids with TMS-acetylene

  摘要：

  The enantiosetective alkynylation of benzylidene Meldrum's acids has been successfully achieved through rhodium-catalyzed addition of TMS-acetylene in the presence of bisphosphine ligand 3,5-Xylyl-MeOBIPHEP. The resulting Meldrum's acids were obtained in good yields and up to 99% enantiomeric excess. The alkynylation method is carried out under mild reactions conditions and is compatible with an array of functional groups.

  DOI：

  10.1021/ja905336p
• 作为产物：
  描述：

  4-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenyl pivalate 、 三甲基乙炔基硅 在 (S)-(6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(bis(3,5-dimethylphanyl))phosphine 、 [Rh(OH)(cod)]2 作用下， 以 乙二醇二甲醚 为溶剂， 反应 66.0h， 以86%的产率得到(R)-4-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)phenyl pivalate
  参考文献：
  名称：

  Enantioselective Rhodium-Catalyzed Conjugate Alkynylation of 5-Benzylidene Meldrum’s Acids with TMS-acetylene

  摘要：

  The enantiosetective alkynylation of benzylidene Meldrum's acids has been successfully achieved through rhodium-catalyzed addition of TMS-acetylene in the presence of bisphosphine ligand 3,5-Xylyl-MeOBIPHEP. The resulting Meldrum's acids were obtained in good yields and up to 99% enantiomeric excess. The alkynylation method is carried out under mild reactions conditions and is compatible with an array of functional groups.

  DOI：

  10.1021/ja905336p