1-((4-(tert-butyl)phenyl)ethynyl)-3-chlorobenzene | 1198309-56-6

• 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-((4-(tert-butyl)phenyl)ethynyl)-3-chlorobenzene
• 英文别名: (4-t-butylphenyl)-(3'-chlorophenyl)-acetylene；1-Tert-butyl-4-[2-(3-chlorophenyl)ethynyl]benzene
• CAS: 1198309-56-6
• 化学式: C₁₈H₁₇Cl
• 分子量: 268.786
• InChiKey: SUJLYUMOKDXKKV-UHFFFAOYSA-N

物化性质

• 熔点：
  59-62 °C
• 沸点：
  376.0±35.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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-((4-(tert-butyl)phenyl)ethynyl)-3-chlorobenzene 、 N-(2-(1-phenylvinyl)phenyl)acetamide 在 palladium diacetate 、 copper(II) acetate monohydrate 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  钯（ii）催化的乙烯基双键双CH活化和炔烃环化反应：五烯黄酮的合成。

  摘要：

  报道了第一个过渡金属催化的乙烯基双链双C（sp2）-H活化和二取代炔烃环化反应。乙烯基化合物与二取代炔烃的这种钯（ii）催化的酰胺定向反应提供了一条有效的合成五叶烯的途径，由于它们的生物活性和令人感兴趣的光学性质，它们是非常重要的化合物。还开发了由FeCl3介导的五氟戊烯向荧光环戊[b]喹啉的转化。

  DOI：

  10.1039/c9cc09564k
• 作为产物：
  描述：

  1-氯-3-碘苯 、 4-叔-丁基苯基乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 以99%的产率得到1-((4-(tert-butyl)phenyl)ethynyl)-3-chlorobenzene
  参考文献：
  名称：

  Ambient Temperature Hydrophosphination of Internal, Unactivated Alkynes and Allenyl Phosphineoxides with Phosphine Borane Complexes

  摘要：

  Phosphine boranes have been found to hydrophosphinate internal, unactivated alkynes at room temperature under basic conditions without the need for catalysts or radical initiators, The use of air-sensitive secondary phosphines is avoided in this facile process. Broad scope in both the phosphine borane and alkyne partners leads to excellent diversity in the phosphine products. Asymmetric hydrogenation of these species then provides one of the shortest possible routes to chiral monodentate phosphines, Hydrophosphination of allenyl phosphine oxides under similar conditions followed by hydrogenation of the exomethylene moiety yields a wide variety of bis-phosphine derivatives.

  DOI：

  10.1021/ol9022547

文献信息

• Ambient Temperature Hydrophosphination of Internal, Unactivated Alkynes and Allenyl Phosphineoxides with Phosphine Borane Complexes
  作者：Carl A. Busacca、Elisa Farber、Jay DeYoung、Scot Campbell、Nina C. Gonnella、Nelu Grinberg、Nizar Haddad、Heewon Lee、Shengli Ma、Diana Reeves、Sherry Shen、Chris H. Senanayake

  DOI：10.1021/ol9022547

  日期：2009.12.17

  Phosphine boranes have been found to hydrophosphinate internal, unactivated alkynes at room temperature under basic conditions without the need for catalysts or radical initiators, The use of air-sensitive secondary phosphines is avoided in this facile process. Broad scope in both the phosphine borane and alkyne partners leads to excellent diversity in the phosphine products. Asymmetric hydrogenation of these species then provides one of the shortest possible routes to chiral monodentate phosphines, Hydrophosphination of allenyl phosphine oxides under similar conditions followed by hydrogenation of the exomethylene moiety yields a wide variety of bis-phosphine derivatives.
• Palladium(<scp>ii</scp>)-catalyzed vinylic geminal double C–H activation and alkyne annulation reaction: synthesis of pentafulvenes
  作者：Jyotshna Phukon、Sanjib Gogoi

  DOI：10.1039/c9cc09564k

  日期：——

  The first transition-metal-catalyzed vinylic geminal double C(sp2)-H activation and di-substituted alkyne annulation reaction is reported. This palladium(ii)-catalyzed, amide directed reaction of vinylic compounds with di-substituted alkynes offers an efficient synthetic path to pentafulvenes, which are very important compounds because of their bioactivity and interesting optical properties. A FeCl3-mediated

  报道了第一个过渡金属催化的乙烯基双链双C（sp2）-H活化和二取代炔烃环化反应。乙烯基化合物与二取代炔烃的这种钯（ii）催化的酰胺定向反应提供了一条有效的合成五叶烯的途径，由于它们的生物活性和令人感兴趣的光学性质，它们是非常重要的化合物。还开发了由FeCl3介导的五氟戊烯向荧光环戊[b]喹啉的转化。