1,4-di(2-cyanoethyl)benzene | 15201-41-9

• 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-di(2-cyanoethyl)benzene
• 英文别名: 3,3'-(1,4-phenylene)dipropanenitrile；1,4-phenylenedipropanonitrile；1,4-benzenedipropionitrile；3,3'-p-phenylene-di-propionitrile；3,3'-p-Phenylen-di-propionitril；3-[4-(2-Cyanoethyl)phenyl]propanenitrile
• CAS: 15201-41-9
• 化学式: C₁₂H₁₂N₂
• 分子量: 184.241
• InChiKey: LZYOMOGCDQXSGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 沸点：
  408.0±25.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  4
• 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

• 作为反应物：
  描述：

  1,4-di(2-cyanoethyl)benzene 在 硫酸 作用下， 生成 对亚苯基二丙酸
  参考文献：
  名称：

  Malinowski; Benbenek, Roczniki Chemii, 1953, vol. 27, p. 379,386

  摘要：

  DOI：
• 作为产物：
  描述：

  对亚苯基二丙酸 在 四磷十氧化物 作用下， 310.0 ℃ 、5.0 MPa 条件下， 反应 1.0h， 生成 1,4-di(2-cyanoethyl)benzene
  参考文献：
  名称：

  腈及其相应胺的制造方法

  摘要：

  本发明涉及一种腈的制造方法，与现有技术相比，具有氨源用量显著降低、环境压力小、能耗低、生产成本低、腈产品的纯度和收率高等特点，并且能够获得结构更为复杂的腈。本发明还涉及由该腈制造相应胺的方法。

  公开号：

  CN105016945B

文献信息

• Structuring of bridged silsesquioxanes via cooperative weak interactions: H-bonding of urea groups and hydrophobic interactions of long alkylene chains
  作者：Joël J. E. Moreau、Benoît P. Pichon、Catherine Bied、Michel Wong Chi Man

  DOI：10.1039/b504635a

  日期：——

  Lamellar-bridged silsesquioxanes were obtained by the acid-catalysed hydrolytic condensation of a series of bissilylated organobridged molecular precursors. It was found that exploiting cooperative effects between the molecular interactions created by long hydrophobic hydrocarbon chains and the H-bonding between urea groups in the precursors favoured the nanostructuring of the corresponding hybrid silicas.

  层状桥接硅氧烷是通过一系列双硅基有机桥接分子前驱体的酸催化水解缩合获得的。研究发现，利用长疏水烃链所产生的分子相互作用与前驱体中尿素官能团之间的氢键相互作用的协同效应，有利于对应混合硅胶的纳米结构形成。
• Direct synthesis by cationic polymerization of nitrogen-containing polymers
  申请人：EXXON CHEMICAL PATENTS INC.

  公开号：EP0349195A2

  公开（公告）日：1990-01-03

  A method is provided for the direct synthesis of novel polymeric materials functionalized with desirable nitrogen-containing functional groups such as terminal azido, cuano, carbonylamino or thiocarbonylamino groups. Polymerization and functionalization occur in a substantially simultaneous manner. All necessary reactants for the functionalization are present when polymerization is initiated. The nitrogen-containing functional group is provided as a part of a molecule having a release moiety which is preferably resonance stabilized or of tertiary alkyl type and which acts to aid the nitrogen-containing species in functioning as a leaving group.

  本发明提供了一种直接合成新型聚合物材料的方法，该材料具有理想的含氮官能团，如末端叠氮基、氨基、羰基氨基或硫代羰基氨基。聚合和官能化基本上是同时进行的。聚合开始时，官能化所需的所有反应物都已存在。含氮官能团是作为分子的一部分提供的，该分子具有释放基，释放基最好是共振稳定的或叔烷基类型的，其作用是帮助含氮物质作为离去基团发挥作用。
• Paul; Tchelitcheff, Bulletin de la Societe Chimique de France, 1949, p. 472
  作者：Paul、Tchelitcheff

  DOI：——

  日期：——
• Direct Synthesis of Nitriles from Aldehydes Using an <i>O</i>-Benzoyl Hydroxylamine (BHA) as the Nitrogen Source
  作者：Xiao-De An、Shouyun Yu

  DOI：10.1021/acs.orglett.5b02547

  日期：2015.10.16

  The direct synthesis of nitriles from commercially available or easily prepared aldehydes has been achieved. O-(4-CF3-benzoyl)-hydroxylamine (CF3-BHA) was utilized as the nitrogen source to generate O-acyl oximes in situ with aldehydes, which can be converted to a nitrile with the assistance of a Bronsted acid. Several aliphatic, aromatic, and alpha,beta-unsaturated nitriles that contain different functional groups were prepared in high yields (up to 94% yield). This method has notable advantages, such as simple and mild conditions, high yields, and good functional group tolerance.
• US5032653A
  申请人：——

  公开号：US5032653A

  公开（公告）日：1991-07-16