N-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine | 1252653-25-0

• 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
• 英文别名: Me2NC6H4CHNCH(C6H2Me2OMe)2；Me2NC6H4CHN(MEDAM)；4-[bis(4-methoxy-3,5-dimethylphenyl)methyliminomethyl]-N,N-dimethylaniline
• CAS: 1252653-25-0
• 化学式: C₂₈H₃₄N₂O₂
• 分子量: 430.59
• InChiKey: FLQPBHGATFRUDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  双(3,5-二甲基-4-甲氧基苯基)甲胺 、 对二甲氨基苯甲醛 以 二氯甲烷 为溶剂， 反应 168.0h， 以51%的产率得到N-(4-dimethylaminobenzylidene)-[bis(4-methoxy-3,5-dimethylphenyl)methyl]amine
  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

文献信息

• <i>Pyro</i>-Borates, <i>Spiro</i>-Borates, and Boroxinates of BINOL—Assembly, Structures, and Reactivity
  作者：Gang Hu、Anil K. Gupta、Li Huang、Wenjun Zhao、Xiaopeng Yin、Wynter E. G. Osminski、Rui H. Huang、William D. Wulff、Joseph A. Izzo、Mathew J. Vetticatt

  DOI：10.1021/jacs.7b02317

  日期：2017.8.2

  VANOL or VAPOL. Borate esters of BINOL have been investigated as chiral catalysts, and these include meso-borates, spiro-borates, and diborabicyclo-borate esters. Borate esters are often in equilibrium, and their structures can be determined by stoichiometry and/or thermodynamics, especially in the presence of a base. The present study examines the structures of borate esters of BINOL that are produced

  已知 VANOL 和 VAPOL 配体与三当量的 B(OPh)3 反应形成一种催化物质，该物质包含具有三个硼原子的硼酸核，这些已被证明是许多反应的有效催化剂。然而，不知道密切相关的 BINOL 配体是否同样会形成硼酸物质。简单地观察到，与具有 VANOL 或 VAPOL 的相同混合物相比，BINOL 和 B(OPh)3 的混合物是非常差的催化剂。BINOL 的硼酸酯已被研究作为手性催化剂，其中包括内消旋硼酸酯、螺硼酸酯和二硼双环硼酸酯。硼酸酯通常处于平衡状态，它们的结构可以通过化学计量和/或热力学来确定，尤其是在碱的存在下。本研究检查了 BINOL 的硼酸酯的结构，这些 BINOL 的硼酸酯在碱存在和不存在的情况下由 BINOL 与 B(OPh)3 的不同化学计量组合产生。根据条件，可以生成焦硼酸盐、螺硼酸盐和硼酸盐物质，并评估它们在催化不对称氮丙啶化反应中的有效性。发现是 BINOL 硼酸盐物质不一定比