(R)-1-(1-(2-bromophenyl)ethyl)benzene | 1325765-76-1

• 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)-1-(1-(2-bromophenyl)ethyl)benzene
• CAS: 1325765-76-1
• 化学式: C₁₄H₁₃Br
• 分子量: 261.161
• InChiKey: WGHCRVMCNNVAMY-LLVKDONJSA-N

物化性质

• 沸点：
  317.6±11.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (R)-1-(1-(2-bromophenyl)ethyl)benzene 在 ammonium hexafluorophosphate 、 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 (S,S)-4,5-diphenyl-1,3-bis[(R)-2-(1-phenyl-ethyl)-phenyl]-4,5-dihydro-3H-imidazol-1-inium hexafluorophosphate
  参考文献：
  名称：

  Design and Synthesis of C₂-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids

  摘要：

  Chiral, C-2-symmetric imidazolium and imidazolinium ions, as well as the corresponding copper- or silver-bound carbenoids, have been prepared. Structural study of these compounds by X-ray crystallography reveals a chiral pocket that surrounds the putative carbene site or the metal carbene bond, at carbon 2, in three of the four ligands prepared. Preliminary investigation into the application of these complexes has shown one of them to be highly enantioselective in the hydrosilylation of acetophenone.

  DOI：

  10.1021/jo2012434
• 作为产物：
  描述：

  在 盐酸 、 氢溴酸 、 copper(I) bromide 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 49.5h， 生成 (R)-1-(1-(2-bromophenyl)ethyl)benzene
  参考文献：
  名称：

  Design and Synthesis of C₂-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids

  摘要：

  Chiral, C-2-symmetric imidazolium and imidazolinium ions, as well as the corresponding copper- or silver-bound carbenoids, have been prepared. Structural study of these compounds by X-ray crystallography reveals a chiral pocket that surrounds the putative carbene site or the metal carbene bond, at carbon 2, in three of the four ligands prepared. Preliminary investigation into the application of these complexes has shown one of them to be highly enantioselective in the hydrosilylation of acetophenone.

  DOI：

  10.1021/jo2012434