2,4-dicyano-1,5-bis(1,1-dimethylethyl)benzene | 139100-52-0

• 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: 2,4-dicyano-1,5-bis(1,1-dimethylethyl)benzene
• 英文别名: 4,6-Ditert-butylbenzene-1,3-dicarbonitrile
• CAS: 139100-52-0
• 化学式: C₁₆H₂₀N₂
• 分子量: 240.348
• InChiKey: MYYRLXJFWZEPNP-UHFFFAOYSA-N

物化性质

• 熔点：
  176-178 °C
• 沸点：
  340.6±42.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  间苯二甲腈 、 叔丁基(氯)汞 在 三乙烯二胺 作用下， 以 二甲基亚砜 为溶剂， 反应 4.5h， 以99%的产率得到2,4-dicyano-1,5-bis(1,1-dimethylethyl)benzene
  参考文献：
  名称：

  烷基汞卤化物的均裂碱促进芳族烷基化1

  摘要：

  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……

  DOI：

  10.1021/ja971809n

文献信息

• ORGANIC ELECTROLUMINESCENCE DEVICE AND HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20190252626A1

  公开（公告）日：2019-08-15

  An organic electroluminescence device includes a first electrode, a hole transport region disposed on the first electrode, a light emitting layer disposed on the hole transport region, an electron transport region disposed on the light emitting layer, and a second electrode disposed on the electron transport region. The light emitting layer includes a heterocyclic compound represented by Formula 1 below. In Formula 1, D 1 and D 2 are each independently represented by Formula 2 below, and A is represented by any one of Formulas 3-1 to 3-3 below. D 1 -A-D 2 Formula 1

  一种有机电致发光器件，包括第一电极、设置在第一电极上的空穴传输区域、设置在空穴传输区域上的发光层、设置在发光层上的电子传输区域和设置在电子传输区域上的第二电极。发光层包括由下式表示的杂环化合物。在式子1中，D1和D2分别由下式2表示，而A由下式3-1至3-3中的任一式表示。D1-A-D2式子1
• Organic electroluminescence device and heterocyclic compound for organic electroluminescence device
  申请人：Samsung Display Co., Ltd.

  公开号：US11362286B2

  公开（公告）日：2022-06-14

  An organic electroluminescence device includes a first electrode, a hole transport region disposed on the first electrode, a light emitting layer disposed on the hole transport region, an electron transport region disposed on the light emitting layer, and a second electrode disposed on the electron transport region. The light emitting layer includes a heterocyclic compound represented by Formula 1 below. In Formula 1, D1 and D2 are each independently represented by Formula 2 below, and A is represented by any one of Formulas 3-1 to 3-3 below. D1-A-D2  Formula 1

  一种有机电致发光器件包括第一电极、设置在第一电极上的空穴传输区、设置在空穴传输区上的发光层、设置在发光层上的电子传输区以及设置在电子传输区上的第二电极。发光层包括如下式 1 所表示的杂环化合物。在式 1 中，D1 和 D2 各自独立地由下面的式 2 表示，A 由下面的式 3-1 至 3-3 中的任意一个表示。 D1-A-D2 式 1
• Electron transfer photoinduced cleavage of acetals. A mild preparation of alkyl radicals
  作者：M. Mella、E. Fasani、A. Albini

  DOI：10.1021/jo00037a020

  日期：1992.5

  Electron transfer from 2-alkyl- and 2,2-dialkyldioxolanes as well as from open-chain ketals to singlet excited benzene-1,2,4,5-tetracarbonitrile (TCNB) is followed by fragmentation of the donors radical cation to yield alkyl radicals and dialkoxy carbocations. The first species are trapped by TCNB to yield alkylbenzenetricarbonitriles (substitution of a second cyano group can be obtained sequentially) and in a minor path are reduced to alkanes, while the latter ones react with nucleophiles to give ortho acid derivatives. In view of the results of radical clock experiments, it is assumed that part of the process is a concerted (radical cation cleavage-addition to the aromatic) reaction, while another part involves the free-radical cation. On the other hand, intersystem crossing from the singlet radical ion pair to the triplet manifold causes cleavage of the acetal to the corresponding carbonyl derivative. This reaction offers a mild method for the preparation of alkyl radicals via C-C bond cleavage.
• Homolytic Base-Promoted Aromatic Alkylations by Alkyl Halides¹
  作者：Chen Wang、Glen A. Russell、Walter S. Trahanovsky

  DOI：10.1021/jo9818982

  日期：1998.12.1

  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.
• 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……