(R)-methyl-3-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)benzoate | 1189170-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-methyl-3-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)benzoate
• CAS: 1189170-97-5
• 化学式: C₂₀H₂₄O₆Si
• 分子量: 388.492
• InChiKey: PACCXWVUMAOFBX-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 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)-methyl-3-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)benzoate 、 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：

  methyl 3-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)benzoate 、 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， 生成 (S)-methyl-3-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)benzoate 、 (R)-methyl-3-(1-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(trimethylsilyl)prop-2-ynyl)benzoate
  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