2-(benzothiazol-2-yl-hydrazonomethyl)-4,6-di-tert-butyl-phenol | 1010069-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(benzothiazol-2-yl-hydrazonomethyl)-4,6-di-tert-butyl-phenol
• CAS: 1010069-29-0
• 化学式: C₂₂H₂₇N₃OS
• 分子量: 381.542
• InChiKey: KTBBDKKRNDYIJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.51
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(benzothiazol-2-yl-hydrazonomethyl)-4,6-di-tert-butyl-phenol 、 copper dichloride 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Novel mono-and binuclear complexes of Cu(II) with hydrazones of salicylaldehyde derivatives

  摘要：

  A series of new mono-and binuclear metal chelates of Cu(II) with ligands, which are the products of condensation of 3,5-di(tert-butyl)salicylaldehyde with hetarylhydrazines or 4-phenylsemi(thiosemi)carbazide, were synthesized. Their compositions and structures were determined by the elemental analysis, IR and H-1 NMR spectroscopies, magnetochemistry, and conductometry measurements. It was shown for the first time that in the case of hetarylhydrazones, only mononuclear complexes were formed due to steric effect of tert-butyl fragments, whereas arylhydrazones gave binuclear complexes with two Cu atoms bonded by the spin-spin interaction. The exchange parameters 2J were calculated for binuclear metal chelates.

  DOI：

  10.1134/s1070328407040112

文献信息

• Convenient and efficient Suzuki–Miyaura cross-coupling reactions catalyzed by palladium complexes containing N,N,O-tridentate ligands
  作者：Siddappa A. Patil、Chia-Ming Weng、Po-Cheng Huang、Fung-E. Hong

  DOI：10.1016/j.tet.2009.02.017

  日期：2009.4

  Pd(OAc)2 furnished an excellent catalyst precursor for the Suzuki–Miyaura cross-coupling of various aryl bromides with arylboronic acids. The effects of varying solvents, bases, and ligand/palladium ratios on the performance of the coupling reaction were investigated. The molecular structures of both free ligand 1 and its palladium acetate complex 10 were determined by single-crystal X-ray diffraction

  Ñ，Ñ，ö -Tridentate配体1 - 9从胺与9种芳族醛或酮的缩合制备的。这些配体是热稳定的，对空气和湿气都不敏感。2-甲氧基-6-[（吡啶-2-基甲基亚氨基）-甲基]-苯酚1或2-（苯并噻唑-2-基-肼基甲基）-4,6-二叔丁基-苯酚6的组合与Pd（OAc）2为各种芳基溴化物与芳基硼酸的Suzuki-Miyaura交叉偶联提供了极好的催化剂前体。研究了不同溶剂，碱和配体/钯比例对偶联反应性能的影响。游离配体1及其乙酸钯络合物10的分子结构均通过单晶X射线衍射法测定。DFT研究表明，涉及这类配体的钯配合物的催化性能可能会因其结构的微小变化而大不相同。