N,N-bis(2-cyano-5-methoxyphenyl)-3-(o-tolyl)propanamide

• 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: N,N-bis(2-cyano-5-methoxyphenyl)-3-(o-tolyl)propanamide
• 化学式: C₂₆H₂₃N₃O₃
• 分子量: 425.487
• InChiKey: YEFNDDVBLSAOIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  86.35
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N,N-bis(2-cyano-5-methoxyphenyl)-3-(o-tolyl)propanamide 、 苯硼酸频哪醇酯 在 四丁基氟化铵 、 palladium diacetate 、 cesium fluoride 、 silver carbonate 、 N-乙酰甘氨酸 作用下， 反应 24.0h， 以73%的产率得到N,N-bis(2-cyano-5-methoxyphenyl)-3-(4-methyl-[1,1'-biphenyl]-3-yl)propanamide
  参考文献：
  名称：

  Cross-Coupling of Remote meta-C–H Bonds Directed by a U-Shaped Template

  摘要：

  meta-C-H arylation and methylation of 3-phenylpropanoic acid and phenolic derivatives were developed using an easily removable nitrile template. The combination of a weakly coordinating U-shaped template and mono-protected amino acid ligand was crucial for the cross-coupling of C-H bonds with organoborons.

  DOI：

  10.1021/ja410760f
• 作为产物：
  描述：

  2-氟-4-甲氧基苯腈 在 potassium tert-butylate 、 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 mineral oil 为溶剂， 反应 0.5h， 生成 N,N-bis(2-cyano-5-methoxyphenyl)-3-(o-tolyl)propanamide
  参考文献：
  名称：

  Cross-Coupling of Remote meta-C–H Bonds Directed by a U-Shaped Template

  摘要：

  meta-C-H arylation and methylation of 3-phenylpropanoic acid and phenolic derivatives were developed using an easily removable nitrile template. The combination of a weakly coordinating U-shaped template and mono-protected amino acid ligand was crucial for the cross-coupling of C-H bonds with organoborons.

  DOI：

  10.1021/ja410760f

文献信息

• Cross-Coupling of Remote <i>meta</i>-C–H Bonds Directed by a U-Shaped Template
  作者：Li Wan、Navid Dastbaravardeh、Gang Li、Jin-Quan Yu

  DOI：10.1021/ja410760f

  日期：2013.12.4

  meta-C-H arylation and methylation of 3-phenylpropanoic acid and phenolic derivatives were developed using an easily removable nitrile template. The combination of a weakly coordinating U-shaped template and mono-protected amino acid ligand was crucial for the cross-coupling of C-H bonds with organoborons.