1-methyl(diphenyl)silyl-2-phenyl-3,5-bis(trimethylsilyl)benzene | 1438769-88-0

• 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: 1-methyl(diphenyl)silyl-2-phenyl-3,5-bis(trimethylsilyl)benzene
• 英文别名: Trimethyl-[3-[methyl(diphenyl)silyl]-2-phenyl-5-trimethylsilylphenyl]silane；trimethyl-[3-[methyl(diphenyl)silyl]-2-phenyl-5-trimethylsilylphenyl]silane
• CAS: 1438769-88-0
• 化学式: C₃₁H₃₈Si₃
• 分子量: 494.899
• InChiKey: VYNWEQIXERIWNF-UHFFFAOYSA-N

物化性质

• 沸点：
  499.7±45.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.54
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-methyl(diphenyl)silyl-2-phenyl-3,5-bis(trimethylsilyl)benzene 在 一氯化碘 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以64%的产率得到1-methyl(diphenyl)silyl-2-phenyl-3-trimethylsilyl-5-iodobenzene
  参考文献：
  名称：

  Regioselective Synthesis of Multisubstituted Benzenes by Palladium-Catalyzed Intermolecular Reaction of β-Iodo-β-silylstyrenes with Alkynes

  摘要：

  The Pd-catalyzed reaction between beta-iodo-beta-silyistyrenes and terminal alkynes in i-Pr2NEt gave 1,2,3,5-tetrasubstituted benzenes with complete regioselection. The use of certain silylacetylenes as alkynes enabled efficient synthesis of 1,3,5-trissilyl-2-arylbenzenes, which could be transformed into other multisubstituted benzenes by displacement of the silyl groups.

  DOI：

  10.1021/ol4010883
• 作为产物：
  描述：

  methyldiphenyl(phenylethynyl)silane 在 palladium diacetate 、 二异丁基氢化铝 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 27.0h， 生成 1-methyl(diphenyl)silyl-2-phenyl-3,5-bis(trimethylsilyl)benzene
  参考文献：
  名称：

  Regioselective Synthesis of Multisubstituted Benzenes by Palladium-Catalyzed Intermolecular Reaction of β-Iodo-β-silylstyrenes with Alkynes

  摘要：

  The Pd-catalyzed reaction between beta-iodo-beta-silyistyrenes and terminal alkynes in i-Pr2NEt gave 1,2,3,5-tetrasubstituted benzenes with complete regioselection. The use of certain silylacetylenes as alkynes enabled efficient synthesis of 1,3,5-trissilyl-2-arylbenzenes, which could be transformed into other multisubstituted benzenes by displacement of the silyl groups.

  DOI：

  10.1021/ol4010883

文献信息

• Regioselective Synthesis of Multisubstituted Benzenes by Palladium-Catalyzed Intermolecular Reaction of β-Iodo-β-silylstyrenes with Alkynes
  作者：Hidenori Kinoshita、Hirotoshi Takahashi、Katsukiyo Miura

  DOI：10.1021/ol4010883

  日期：2013.6.21

  The Pd-catalyzed reaction between beta-iodo-beta-silyistyrenes and terminal alkynes in i-Pr2NEt gave 1,2,3,5-tetrasubstituted benzenes with complete regioselection. The use of certain silylacetylenes as alkynes enabled efficient synthesis of 1,3,5-trissilyl-2-arylbenzenes, which could be transformed into other multisubstituted benzenes by displacement of the silyl groups.