2,3,4,5-Tetramethoxybenzonitrilato | 1478593-03-1

• 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: 2,3,4,5-Tetramethoxybenzonitrilato
• 英文别名: 2,3,4,5-tetramethoxybenzonitrile
• CAS: 1478593-03-1
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: YKIDBYBROXWWKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3,4,5-Tetramethoxybenzonitrilato 在 锂硼氢 、 C₃₀H₂₁F₆N₂NiO₂P 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以31%的产率得到1,2,3,4-四甲氧基苯
  参考文献：
  名称：

  Exploring the reactivity of nickel complexes in hydrodecyanation reactions

  摘要：

  In the present study, the nickel-catalyzed hydrodecyanation of organic cyanides with lithium borohydride as a cheap hydride source has been examined in detail. As precatalysts straightforward nickel complexes modified by tridentate O,N,O'-ligands and triphenylphosphane as co-ligand have been applied. Noteworthy, excellent yields and chemoselectivities were feasible for a variety of organic cyanides at low catalyst loadings and low temperature (70 degrees C) within short reaction time (3 h). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.068
• 作为产物：
  描述：

  甲醇 、 3,4,5-三甲氧基苯甲腈 在 sodium persulfate 、 palladium diacetate 作用下， 反应 24.0h， 以73%的产率得到pentamethoxybenzonitrile
  参考文献：
  名称：

  Exploring the reactivity of nickel complexes in hydrodecyanation reactions

  摘要：

  In the present study, the nickel-catalyzed hydrodecyanation of organic cyanides with lithium borohydride as a cheap hydride source has been examined in detail. As precatalysts straightforward nickel complexes modified by tridentate O,N,O'-ligands and triphenylphosphane as co-ligand have been applied. Noteworthy, excellent yields and chemoselectivities were feasible for a variety of organic cyanides at low catalyst loadings and low temperature (70 degrees C) within short reaction time (3 h). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.068