3,5-二氰基甲基甲苯 | 107170-81-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二氰基甲基甲苯
• 英文名称: 2,5-dimethyl-1,3-phthalodinitrile
• 英文别名: 2,6-dicyano-p-xylene；3,5-Dicyanomethyl toluene；2,5-dimethylbenzene-1,3-dicarbonitrile
• CAS: 107170-81-0
• 化学式: C₁₀H₈N₂
• mdl: MFCD00229466
• 分子量: 156.187
• InChiKey: CQDLIGVVPZHEAS-UHFFFAOYSA-N

物化性质

• 熔点：
  174-175.5 °C(Solv: benzene (71-43-2))
• 沸点：
  294.3±35.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-二氰基甲基甲苯 在 硫酸 氢氧化钾 作用下， 以 乙二醇甲醚 、 水 为溶剂， 反应 48.0h， 生成 ethyl 2,5-dimethylisophthalate
  参考文献：
  名称：

  Photodimerization of benzenes in strained dihetera[3.3]metacyclophanes

  摘要：

  DOI：

  10.1016/s0040-4020(01)87590-6
• 作为产物：
  描述：

  2,4-二溴-3,6-二甲基苯胺 在 硫酸 、 sodium nitrite 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 4.0h， 生成 3,5-二氰基甲基甲苯
  参考文献：
  名称：

  Synthesis, Reactions, and Structural and NMR Features of [2.2]Metacyclophane Monoenes and Their Tricarbonylchromium and Cyclopentadienyliron(+) Complexes

  摘要：

  8,16-Dimethyl-, 5,8,13,16-tetramethyl, and 4,6,8,12,14,16-hexamethyl[2,2]metacyclophanene have been synthesized from the corresponding methyl-substituted 3-thia[3.2]metacyclophane precursors via a Wittig rearrangement-Hofmann elimination procedure. Simple addition of bromine or similar electrophiles to the bridge double bond of the cyclophane monoenes did not occur; rather, the methyl-substituted dihydropyrenes were formed. However, mono- and bis-tricarbonylchromium and monocyclopentadienyliron complexes were obtained using ligand-exchange reactions. Addition of bromine to the cyclophane bridge double bond of the iron complex did occur, but unusually slowly. Surprisingly, debromination rather than dehydrobromination occurred when the dibromo addition product was treated with a variety of bases. Photoisomerization of the monoenes and nucleophilic substitution of the metal complexes was also investigated. The geometries of the monoenes and their complexes were compared to the cyclophanes and the cyclophanedienes and to the monothia- and dithiacyclophanes, by comparison of X-ray and calculated structural data and NMR spectroscopic data. Introduction of double bonds into the cyclophane bridges causes the cyclophane step to be less steep but increases distortion of the internal atoms out of the plane of the benzene rings. Making the bridges nonidentical also causes a sideways twist of the step.

  DOI：

  10.1021/jo990721k

文献信息

• [EN] PHOSPHOLIPID COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS PHOSPHOLIPIDIQUES ET LEURS UTILISATIONS
  申请人：GILEAD SCIENCES INC

  公开号：WO2022081973A1

  公开（公告）日：2022-04-21

  Compounds and methods of using said compounds, alone or in combination with additional agents, and pharmaceutical compositions of said compounds for the treatment of viral infections are disclosed.

  本文披露了用于治疗病毒感染的化合物及其使用方法，可以单独使用或与其他药物联合使用，并且还包括该化合物的药物组合物。
• Solid-State Diphotocyclization of Iso- and Terephthalaldehydes via Dihalogen Substitution
  作者：J. Narasimha Moorthy、P. Venkatakrishnan、Prasenjit Mal、P. Venugopalan

  DOI：10.1021/jo026055w

  日期：2003.1.1

  The supramolecular nonbonded C-H...X interactions between formyl hydrogens and ortho-halogen atoms (Br/Cl) have been exploited to achieve conformational control in the solid state of dimethyl-substituted iso- and terephthaladehydes (1-3) for unprecedented diphotocyclization. It is shown that the dihalogen substitution also contributes to the stability of the benzocyclobutenols relative to their precursor photoenols, so that the solid-state photolysis of dialdehydes 2b, 2c, and 3b leads to diphotocyclization to afford respectable yields of bis-benzocyclobutenols.
• HIGUCHI, HIROYUKI;KOBAYASHI, EIJI;SAKATA, YOSHITERU;MISUMI, SOICHI, TETRAHEDRON, 1986, 42, N 6, 1731-1739
  作者：HIGUCHI, HIROYUKI、KOBAYASHI, EIJI、SAKATA, YOSHITERU、MISUMI, SOICHI

  DOI：——

  日期：——
• ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：EP3770166B1

  公开（公告）日：2021-10-06
• AZO DYES
  申请人：Dreier Romeo

  公开号：US20100196676A1

  公开（公告）日：2010-08-05

  The present invention relates to disperse azo dyes based on a phthalimido-substituted aniline coupling component and an aromatic-carbocyclic or an aromatic-heterocyclic diazo component, to a process for the preparation of such dyes and to their use in the dyeing or printing of semi-synthetic and, especially, synthetic hydrophobic fibre materials, more especially textile materials.