4-stilben-α-yl-benzonitrile

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-stilben-α-yl-benzonitrile
• 英文别名: 4-Stilben-α-yl-benzonitril
• 化学式: C₂₁H₁₅N
• 分子量: 281.357
• InChiKey: YCRVQKPHOGSLIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.15
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  苯乙烯 在 palladium diacetate 、 potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 4-stilben-α-yl-benzonitrile
  参考文献：
  名称：

  Pd-catalyzed Heck reactions of aryl bromides with 1,2-diarylethenes

  摘要：

  A catalytic system composed of Pd(OAc)(2) and P(o-tol)(3) was found to be effective for the Heck reaction of aryl bromides with diarylethylenes. Using K(2)CO(3) as a base and DMF as a solvent, trisubstituted olefins were obtained in good to excellent yields. Aryl bromides containing an electron-withdrawing group in para position were less reactive for the Heck coupling reaction and gave substantial amount of homocoupling by-product suggesting that oxidative addition is not the rate-determining step. Electron withdrawing group substituent in the para position of stilbene affects the regioselectivity of the reaction. In this case, the phenyl group from the Ph-Pd complex migrates preferentially to the same carbon of the double bond to which the phenyl is bonded. Finally, a one pot sequential double Heck arylation of styrene was performed, giving trisubstituted olefin with an overall yield of 73%.

  DOI：

  10.1590/s0103-50532011000700026

文献信息

• Influences of support fibers on shapes of heptane/hexadecane droplets in reduced gravity
  作者：B. D. Shaw、M. J. Harrison

  DOI：10.1007/bf02881679

  日期：2002.12

  This paper describes analytical and experimental results related to the effects of support fibers on shapes of heptane/hexadecane mixture droplets (both burning and evaporating) in reduced gravity. The experimental results were obtained from large droplets (a few mm) investigated during the MSL-1 Flight of Spacelab. Theoretical (asymptotic) analyses are developed to predict droplet shapes. These analyses, which predict droplet shapes very well, illustrate important aspects of droplet shapes in a transparent fashion. The asymptotic theory shows that for small droplet-fiber contact angles, two spatial zones exist where droplet shapes behave differently. Away from a fiber a droplet is essentially spherical. As the fiber is approached, however deviations from spherical symmetry are significant. Previously developed analytical theory to predict macroscopic droplet shapes also compares well with experimental results. In addition, the experiments indicate that thin liquid films can form on support fibers. In the present experiments, these films apparently lead to transient formation of small droplets/bubbles on the support fibers at locations near the surface of a droplet.
• Pd-catalyzed Heck reactions of aryl bromides with 1,2-diarylethenes
  作者：Jones Limberger、Silvia Poersch、Adriano L Monteiro

  DOI：10.1590/s0103-50532011000700026

  日期：——

  A catalytic system composed of Pd(OAc)(2) and P(o-tol)(3) was found to be effective for the Heck reaction of aryl bromides with diarylethylenes. Using K(2)CO(3) as a base and DMF as a solvent, trisubstituted olefins were obtained in good to excellent yields. Aryl bromides containing an electron-withdrawing group in para position were less reactive for the Heck coupling reaction and gave substantial amount of homocoupling by-product suggesting that oxidative addition is not the rate-determining step. Electron withdrawing group substituent in the para position of stilbene affects the regioselectivity of the reaction. In this case, the phenyl group from the Ph-Pd complex migrates preferentially to the same carbon of the double bond to which the phenyl is bonded. Finally, a one pot sequential double Heck arylation of styrene was performed, giving trisubstituted olefin with an overall yield of 73%.