N-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine hydrochloride | 1252653-30-7

• 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-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine hydrochloride
• CAS: 1252653-30-7
• 化学式: C₂₈H₃₄N₂O₂*ClH
• 分子量: 467.051
• InChiKey: KENRVPONFUQLJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.63
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  34.06
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 N-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine hydrochloride
  参考文献：
  名称：

  Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme−Substrate Complex

  摘要：

  A substrate induced covalent assembly of a highly organized chemzyme known to be effective in both catalytic asymmetric aziridination and aza Diels-Alder reactions is described and the information gained from which led to an efficient one-pot aziridination protocol. The crystal structures of two chemzyme-iminium complexes were elucidated by X-ray diffraction analysis that provides critical insights into the binding of the substrates with the chemzyme.

  DOI：

  10.1021/ja1070224