1-(4'-Bromo-biphenyl-4-yl)-cyclohexane-1,4-dicarbonitrile

• 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'-Bromo-biphenyl-4-yl)-cyclohexane-1,4-dicarbonitrile
• 英文别名: 1-[4-(4-Bromophenyl)phenyl]cyclohexane-1,4-dicarbonitrile
• 化学式: C₂₀H₁₇BrN₂
• 分子量: 365.272
• InChiKey: JNAJIHHUQRKOKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Process for preparing an aromatic compound substituted by a tertiary nitrile
  申请人：Pfizer Products Inc.

  公开号：EP1046635A1

  公开（公告）日：2000-10-25

  A process is described for preparing an aromatic compound substituted by a tertiary nitrile of Formula (1.0.0): comprising treating a substituted aromatic compound of Formula (2.0.0): with a secondary nitrile of Formula (3.0.0): in the presence of a base having a pKa numerical value in the range of from about 17 to about 30, provided that the difference in pKa numerical values between said base and the corresponding tertiary nitrile of Formula (3.0.0) is no more than about 6; in an aprotic solvent having a dielectric constant (ε) of less than about 20; and at a reaction temperature in the range of from about 0 °C to about 120 °C; whereby there is formed said tertiary-nitrile-substituted aromatic compound final product of Formula (1.0.0); wherein the constituent parts W1, W2, W3, W4, and W5; and the substituent moieties R1, R2, R3, R4, R5, R6, and R7 in the compounds of Formulas (1.0.0), (2.0.0) and (3.0.0) are selected from known organic groups and radicals as further detailed in the instant specification.

  描述了一种制备被式（1.0.0）叔腈取代的芳香族化合物的工艺： 包括处理式(2.0.0)的被取代的芳香族化合物： 用式（3.0.0）的仲腈： 在具有 pKa 数值在约 17 至约 30 范围内的碱存在下，条件是所述碱和式 (3.0.0)的相应叔腈之间的 pKa 数值之差不大于约 6；在介电常数 (ε)小于约 20 的钝溶剂中；以及在约 0 °C 至约 120 °C 的反应温度范围内；由此形成式 (1.0.0) 的所述叔腈取代的芳香族化合物最终产物。0.0)；其中式(1.0.0)、(2.0.0)和(3.0.0)化合物中的组成部分W1、W2、W3、W4和W5；以及取代基R1、R2、R3、R4、R5、R6和R7选自已知的有机基团和基团，详见本发明说明书。
• US6303782B1
  申请人：——

  公开号：US6303782B1

  公开（公告）日：2001-10-16