syn-CH3O2CC(Sn(C4H9)3)CHC2CH3 | 1011497-81-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: syn-CH3O2CC(Sn(C4H9)3)CHC2CH3
• 英文别名: methyl 2-tributylstannylhex-2-en-4-ynoate
• CAS: 1011497-81-6
• 化学式: C₁₉H₃₄O₂Sn
• 分子量: 413.188
• InChiKey: RXFJHCSRFPIPIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-丙炔-三-正-丁基锡 、 丙炔酸甲酯 在 tris(dibenzylideneacetone)dipalladium (0) 作用下， 以 二氯甲烷 为溶剂， 生成 syn-CH3O2CC(Sn(C4H9)3)CHC2CH3 、 syn-CH3O2CC(Sn(C4H9)3)CHC2CH3
  参考文献：
  名称：

  Alkynes as Stille Reaction Pseudohalides:  Gold- and Palladium-Cocatalyzed Synthesis of Tri- and Tetra-Substituted Olefins

  摘要：

  A Stille-type reaction that employs alkynes as pseudohalides provides access to the catalytic chemistry of palladium-carbon sigma-bonds starting from pi-systems. The synthesis of a variety of tri- and tetra-substituted olefins by addition of sp(2)- and sp-hybridized stannanes across mono- and diester alkynes was accomplished with complete regioselectivity and high stereoselectivity. The reaction is proposed to proceed via a bimetallic mechanism where the Lewis acidic Au(I) activates the alkyne toward oxidative addition across Pd(0).

  DOI：

  10.1021/ja710648b