1,4-dicyano-2-(1,1-dimethylethyl)benzene

• 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-dicyano-2-(1,1-dimethylethyl)benzene
• 英文别名: 2-Tert-butylbenzene-1,4-dicarbonitrile
• 化学式: C₁₂H₁₂N₂
• 分子量: 184.241
• InChiKey: QFAXDUFXGRUSHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对苯二腈 、 溴代叔丁烷 在 三乙烯二胺 、 六正丁基二锡 作用下， 以 苯 为溶剂， 反应 100.0h， 以10%的产率得到1,4-dicyano-2,5-bis(1,1-dimethylethyl)benzene
  参考文献：
  名称：

  Homolytic Base-Promoted Aromatic Alkylations by Alkyl Halides¹

  摘要：

  Electron-transfer chain reactions leading to regioselective alkylations of benzenes bearing electron-withdrawing substituents can be observed with alkyl halides in the presence of the radical initiator (Bu3Sn)(2) and the proton acceptor 1,4-diazabicyclo[2.2.2]octane (DABCO). Yields vary from low to high depending on the benzene derivatives. The role of DABCO is to abstract a proton from the substituted cyclohexadienyl adduct radical to form a radical anion which then transfers an electron to RX and is converted to the alkylated product itself. The rate of this electron-transfer step is probably not fast enough to sustain a good radical chain reaction so that further generation of R-. from excess (Bu3Sn)(2) and RX is necessary.

  DOI：

  10.1021/jo9818982

文献信息

• Homolytic Base-Promoted Aromatic Alkylations by Alkylmercury Halides¹
  作者：Glen A. Russell、Ping Chen、Byeong Hyo Kim、Ragine Rajaratnam

  DOI：10.1021/ja971809n

  日期：1997.9.1

  Electron transfer chain reactions leading to substitution in electronegatively substituted benzene derivatives can be observed with alkylmercury halides in the presence of proton acceptors such as ...

  在质子受体的存在下，可以用烷基汞卤化物观察到导致电负性取代的苯衍生物取代的电子转移链反应，例如……
• ANTIPARASITIC AGENTS
  申请人：Comlay Stuart Nicholas

  公开号：US20100010093A1

  公开（公告）日：2010-01-14

  The present invention relates to compounds of the formula (I) or a tautomer or prodrug thereof, or a pharmaceutically acceptable salt of said compound, tautomer or prodrug, wherein: R 1 , R 2 , R 3 , R 4 and R 5 are each independently selected from H, halo, CN, CF 3 and CONH 2 ; compositions containing such compounds and the uses of such compounds as antiparasitic agents.

  本发明涉及式(I)的化合物，或其互变异构体或前药，或该化合物，互变异构体或前药的药学上可接受的盐，其中：R1、R2、R3、R4和R5各自独立地选择自H、卤、CN、CF3和CONH2；含有这种化合物的组合物以及将这种化合物用作抗寄生虫剂的用途。
• Heterocyclic compound and organic electroluminescence device including the same
  申请人：Samsung Display Co., Ltd.

  公开号：US10741774B2

  公开（公告）日：2020-08-11

  A heterocyclic compound represented by Formula 1 and an organic electroluminescence device including the same in an emission layer. In Formula 1, Z is represented by Formula 2-1 or 2-2. In Formula 2-2, X1 to X3 are each independently CR10 or N, and at least one of X1 to X3 is N.

  一种由式 1 表示的杂环化合物和一种在发射层中包含该杂环化合物的有机电致发光器件。 在式 1 中，Z 由式 2-1 或 2-2 表示。 在式 2-2 中，X1 至 X3 各自独立地为 CR10 或 N，且 X1 至 X3 中至少有一个为 N。
• Bil'kis; Panteleeva; Tananakin, Russian Journal of Organic Chemistry, 1997, vol. 33, # 5, p. 652 - 659
  作者：Bil'kis、Panteleeva、Tananakin、Shteingarts

  DOI：——

  日期：——
• ANISOTROPIC CONDUCTIVE ADHESIVE FILM
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0594644B1

  公开（公告）日：1997-03-12