2,3,5,6-tetramethyl-1,4-benzenebis(nitrile oxide) | 2904-60-1

• 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: 2,3,5,6-tetramethyl-1,4-benzenebis(nitrile oxide)
• 英文别名: Tetramethyl-terephthalo-bis-nitriloxyd；2,3,5,6-Tetramethylterephthalonitrildioxid；tetramethylterephthalonitrile N,N'-dioxide；1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N,N'-dioxide
• CAS: 2904-60-1
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: RPJCZVIYUCJOSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,4,5-tetramethyl-3,6-bis(nitromethyl)benzene 在 异氰酸苯酯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以92%的产率得到2,3,5,6-tetramethyl-1,4-benzenebis(nitrile oxide)
  参考文献：
  名称：

  位阻芳基卤化物对硝基甲烷的芳基化

  摘要：

  开发了 Pd 催化空间位阻芳基卤化物与硝基甲烷交叉偶联的有效条件，得到相应的芳基硝基甲烷。证明了在这些条件下进行多硝基甲基化反应的机会，以及将所得产物用于合成二腈氧化物的机会。

  DOI：

  10.1007/s11172-022-3376-7

文献信息

• CROSSLINKER, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD OF THE CROSSLINKED POLYMER MATERIAL
  申请人：SEO Akishige

  公开号：US20110224380A1

  公开（公告）日：2011-09-15

  The present invention provides a crosslinker used for crosslinking a polymer material having, in the molecule thereof, a multiple bond reactable with a nitrile oxide, the crosslinker including a bifunctional nitrile oxide having an aromatic nitrile oxide derivative structure in which one hydrogen atom of an aromatic ring is substituted with a nitrile oxide group and all hydrogen atoms at an ortho-position of the nitrile oxide group are substituted with a substituent other than a nitrile oxide group, wherein two such aromatic nitrile oxide derivative structures are bonded to either two oxy groups of a di-oxy structure having the two oxy groups or two carbonyl groups of a di-carbonyl structure having the two carbonyl groups.
• US8530585B2
  申请人：——

  公开号：US8530585B2

  公开（公告）日：2013-09-10
• Arylation of nitromethane with sterically hindered aryl halides
  作者：M. A. Topchiy、A. N. Lysenko、M. A. Rasskazova、A. A. Ageshina、S. A. Rzhevskiy、L. I. Minaeva、M. S. Nechaev、A. F. Asachenko

  DOI：10.1007/s11172-022-3376-7

  日期：2022.1

  Efficient conditions for Pd-catalyzed cross-coupling of sterically hindered aryl halides with nitromethane were developed to give corresponding aryl nitromethanes. The opportunity to carry out the reaction of polynitromethylation under these conditions was demonstrated, as well as to use the obtained products in the synthesis of bisnitrile oxides.

  开发了 Pd 催化空间位阻芳基卤化物与硝基甲烷交叉偶联的有效条件，得到相应的芳基硝基甲烷。证明了在这些条件下进行多硝基甲基化反应的机会，以及将所得产物用于合成二腈氧化物的机会。