4-tert-butyl-2-(phenylethynyl)benzenamine | 1075174-19-4

• 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: 4-tert-butyl-2-(phenylethynyl)benzenamine
• 英文别名: 4-(tert-butyl)-2-(phenylethynyl)aniline
• CAS: 1075174-19-4
• 化学式: C₁₈H₁₉N
• 分子量: 249.356
• InChiKey: ZKKXUUGOTOIDND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-2-(phenylethynyl)benzenamine 在 氟硼酸钠 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以93%的产率得到5-(tert-butyl)-2-phenyl-1H-indole
  参考文献：
  名称：

  [Cp∗IrCl2]2-catalysed cyclization of 2-alkynylanilines into indoles

  摘要：

  [Cp*IrCl2](2) catalyses the cyclization of 2-alkynylanilines into indoles. A wide variety of substrates is tolerated. A reaction pathway involving intramolecular hydroamination is proposed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.08.053
• 作为产物：
  描述：

  苯乙炔 、 2-碘-4-叔丁基苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到4-tert-butyl-2-(phenylethynyl)benzenamine
  参考文献：
  名称：

  [Cp∗IrCl2]2-catalysed cyclization of 2-alkynylanilines into indoles

  摘要：

  [Cp*IrCl2](2) catalyses the cyclization of 2-alkynylanilines into indoles. A wide variety of substrates is tolerated. A reaction pathway involving intramolecular hydroamination is proposed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.08.053

文献信息

• Diaceno[<i>a</i>,<i>e</i>]pentalenes from Homoannulations of <i>o</i>-Alkynylaryliodides Utilizing a Unique Pd(OAc)₂/<i>n</i>-Bu₄NOAc Catalytic Combination
  作者：Junjian Shen、Dafei Yuan、Yan Qiao、Xingxing Shen、Zhongbo Zhang、Yuwu Zhong、Yuanping Yi、Xiaozhang Zhu

  DOI：10.1021/ol502440d

  日期：2014.9.19

  A heterogeneous catalytic system, Pd(OAc)(2)/n-Bu4NOAc, for the efficient synthesis of diaceno[a,e)pentalenes via a tandem Pd catalytic cycle is reported. The catalytic partner n-Bu4NOAc played indispensable and versatile roles, acting as both the media for recovering active Pd(0) species and their stabilizer. A series of new diaceno[a,dpentalenes were obtained in moderate to high yields, among which the octacydic dianthracenopentalene was found to be highly emissive.
• Copper(I)-Mediated Cascade Annulation via Dual C–H/C–H Activation: Access to Benzo[<i>a</i>]carbazolic AEEgens
  作者：Tamanna Khandelia、Subhendu Ghosh、Pritishree Panigrahi、Rajib Shome、Siddhartha Sankar Ghosh、Bhisma K. Patel

  DOI：10.1021/acs.joc.1c02109

  日期：2021.12.3
• Heterobimetallic Cobalt/Rhodium Nanoparticle-Catalyzed Carbonylative Cycloaddition of 2-Alkynylanilines to Oxindoles
  作者：Ji Hoon Park、Eunha Kim、Young Keun Chung

  DOI：10.1021/ol801978n

  日期：2008.11.6

  The cobalt-rhodium heterobimetallic nanoparticle-catalyzed synthesis of oxindoles from 2-alkynylanilines in the presence of carbon monoxide is described.