1,2-dicyano-4,5-diethylbenzene | 96563-12-1

• 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: 1,2-dicyano-4,5-diethylbenzene
• 英文别名: 4,5-diethylphthalodinitrile；3,4-diethylphthalonitrile；4,5-Diethylbenzene-1,2-dicarbonitrile
• CAS: 96563-12-1
• 化学式: C₁₂H₁₂N₂
• 分子量: 184.241
• InChiKey: HTZTVMKBRKYSKD-UHFFFAOYSA-N

物化性质

• 沸点：
  341.2±42.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 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

安全信息

• 危险性防范说明：
  P210,P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P370+P378,P403+P233,P403+P235,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1,2-dicyano-4,5-diethylbenzene 在 tris(acetylacetonate)dysprosium(III) 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 异戊醇 为溶剂， 以33%的产率得到bis(2,3,9,10,16,17,23,24-octaethylphthalocyanine)dysprosium(III)
  参考文献：
  名称：

  Synthesis and spectroscopic study of hexadecaalkyl-substituted rare-earth diphthalocyanines

  摘要：

  New hexadecaalkyl-substituted diphthalocyanine complexes of lanthanides (R)Pc(2)Ln (R = Et, or Bu; Ln = Lu, Dy, or Eu) were synthesized by three methods: in solution in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene, in a melt of a mixture of the reagents, and under microwave irradiation. The first of the above-mentioned procedures has an advantage for the preparation of Dy and Eu diphthalocyanines, whereas the melt synthesis is a method of choice for the preparation of Lu complexes. The reaction time decreases in going from the first to the third method. The structures of the complexes were confirmed by mass spectrometry, NMR spectroscopy, and electronic absorption spectroscopy.

  DOI：

  10.1023/b:rucb.0000035636.77869.f2
• 作为产物：
  描述：

  邻二乙苯 在 溴 、 碘 、 铁粉 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.5h， 生成 1,2-dicyano-4,5-diethylbenzene
  参考文献：
  名称：

  Synthesis and spectroscopic study of hexadecaalkyl-substituted rare-earth diphthalocyanines

  摘要：

  New hexadecaalkyl-substituted diphthalocyanine complexes of lanthanides (R)Pc(2)Ln (R = Et, or Bu; Ln = Lu, Dy, or Eu) were synthesized by three methods: in solution in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene, in a melt of a mixture of the reagents, and under microwave irradiation. The first of the above-mentioned procedures has an advantage for the preparation of Dy and Eu diphthalocyanines, whereas the melt synthesis is a method of choice for the preparation of Lu complexes. The reaction time decreases in going from the first to the third method. The structures of the complexes were confirmed by mass spectrometry, NMR spectroscopy, and electronic absorption spectroscopy.

  DOI：

  10.1023/b:rucb.0000035636.77869.f2

文献信息

• Structural modification of unsymmetrically substituted monophthalocyanines by nucleophilic reactions
  作者：A. Yu. Tolbin、L. G. Tomilova、N. S. Zefirov

  DOI：10.1007/s11172-006-0083-8

  日期：2005.9

  New 2-nitro-substituted phthalocyanine zinc complexes were synthesized. The nucleophilic substitution of the NO2 group was used for the first time for the structural modification of unsymmetrically substituted monophthalocyanines. The electronic absorption spectra of phthalocyanines were studied.

  合成了新的2-硝基取代酞菁锌配合物。NO2基团的亲核取代首次用于不对称取代的单酞菁的结构改性。研究了酞菁的电子吸收光谱。
• Selective synthesis and spectroscopic properties of alkyl-substituted lanthanide(III) mono-, di-, and triphthalocyanines
  作者：V. E. Pushkarev、M. O. Breusova、E. V. Shulishov、Yu. V. Tomilov

  DOI：10.1007/s11172-006-0081-x

  日期：2005.9

  Methods for the selective synthesis of mono-(RPcLnOAc), di-(RPc2Ln), and triphthalocyanines (RPc3Ln2) of rare-earth metals (Ln = Lu, Er, Eu) from symmetrically substituted 2,3,9,10,16,17,23,24-octaalkylphthalocyanines RPcH2 (R = Et, Bu) were developed. The synthesized complexes were characterized by NMR spectroscopy, mass spectrometry, and electronic absorption spectra. The conditions for 1H NMR spectra

  从对称取代的 2,3,9,10,16 选择性合成稀土金属 (Ln = Lu, Er, Eu) 的单 (RPcLnOAc)、二 (RPc2Ln) 和三酞菁 (RPc3Ln2) 的方法，开发了 17,23,24-八烷基酞菁 RPcH2 (R = Et, Bu)。合成的配合物通过核磁共振光谱、质谱和电子吸收光谱进行表征。优化了 1H NMR 谱记录的条件。发现了改变合成化合物光谱特性的规律，这取决于镧系元素的性质和金属酞菁配合物的平面性。
• Reactions of dinitriles with manganese powder: First synthesis of manganese(II) octaphenylporphyrazine and a convenient synthesis of manganese(II) phthalocyanine
  作者：Mark J. Camenzind、Craig L. Hill

  DOI：10.1016/s0020-1693(00)86049-1

  日期：1985.4

  Abstract The one-step preparation of the manganese(II) tetraaza macrocyclic compounds, Mn phthalocyanine and Mn octaphenylporphyrazine from dinitriles and metallic manganese is described. The magnetic and other physical properties of the heretofore unknown Mn octaphenylporphyrazine complex are addressed.

  摘要描述了一种由二腈和金属锰一步制备锰（II）四氮杂大环化合物，Mn酞菁和Mn八苯基卟啉嗪的方法。解决了迄今未知的Mn八苯基卟啉锰配合物的磁性和其他物理性质。
• Synthesis and spectral properties of new planar binuclear phthalocyanines sharing the benzene ring
  作者：A. Yu. Tolbin、V. E. Pushkarev、L. G. Tomilova、N. S. Zefirov

  DOI：10.1007/s11172-006-0392-y

  日期：2006.7

  New planar binuclear phthalocyanines sharing the benzene ring were synthesized and their spectral properties were studied. Intense absorption in the near-IR region (∼850 nm) was observed for the first time.

  合成了新型共享苯环的平面双核酞菁并研究了它们的光谱性质。首次观察到近红外区域（~850 nm）的强吸收。
• Isoindoline derivative
  申请人：Toyooka Kouhei

  公开号：US20060052392A1

  公开（公告）日：2006-03-09

  Provided is a novel isoindoline compound of the formula (I): The compound is useful for anesthesia by inducing sedation in a mammal.

  提供的是一种新型的异吲哚啉化合物，化学式为(I)：该化合物可通过在哺乳动物中诱导镇静来用于麻醉。