(2,4-di-tert-butyl-6-({2-[(3,5-di-tert-butyl-2-hydroxy-benzylidene)-amino]-phenylimino}-methyl)-phenol) | 405202-99-5

• 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: (2,4-di-tert-butyl-6-({2-[(3,5-di-tert-butyl-2-hydroxy-benzylidene)-amino]-phenylimino}-methyl)-phenol)
• 英文别名: N,N’-bis(3,5-di-tert-butylsalicylidene)-1,2-phenylenediamine；N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-phenylenediamine；N,N'-bis(3,5-di-t-butylsalicylidene)-1,2-phenylenediamine；N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylideneimine)；1,2-bis(3,5-di-tert-butyl-2-hydroxybenzimino)benzene；1,2-bis-(3,5-di-t-butyl-salicylideneamino)benzene
• CAS: 405202-99-5
• 化学式: C₃₆H₄₈N₂O₂
• 分子量: 540.789
• InChiKey: POJVJAYCXBJSCY-DITNJDIQSA-N

物化性质

• 沸点：
  636.1±55.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.79
• 重原子数：
  40.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65.18
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2,4-di-tert-butyl-6-({2-[(3,5-di-tert-butyl-2-hydroxy-benzylidene)-amino]-phenylimino}-methyl)-phenol) 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 1.0h， 以8.82 g的产率得到
  参考文献：
  名称：

  A zirconium dichloro complex supported by an ancillary stereorigid tetradentate bis(phenoxo-imino) Schiff-base-donor ligand: Evidence for a conformational equilibrium between two solution stereoisomers

  摘要：

  Reaction of the dilithium salt of the Schiff-base N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylidene-imine) ((t)Bu(4)salophenH(2)) with 1 equiv. of ZrCl4(THF)(2) in toluene at -78 degrees C affords the dichloro complex ZrCl2[C6H4-1,2-{N=CH-(3,5-(Bu2C6H2)-Bu-t-2-O)}(2)], isolated as a mixture of the C-2v-(3a) and C-2-(3b) symmetry isomers. Thermodynamic and kinetic parameters for the equilibrium between 3a and 3b have been determined and studied by H-1 NMR spectroscopy. Reactions of ZrCl2[C6H4-1,2-{N=CH-(3,5-(Bu2C6H2)-Bu-t-2-O)}(2)] with alkylating reagents gave an intractable, unidentified mixture of products from which the NMR spectra in C6D6 solution are unusable. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.05.025
• 作为产物：
  描述：

  3,5-二叔丁基水杨醛 、 邻苯二胺 以 甲醇 为溶剂， 以75%的产率得到(2,4-di-tert-butyl-6-({2-[(3,5-di-tert-butyl-2-hydroxy-benzylidene)-amino]-phenylimino}-methyl)-phenol)
  参考文献：
  名称：

  Salophen和Salen羰基钒配合物作为硫化物被H 2 O 2氧化的催化剂：机理研究

  摘要：

  V（V）催化剂在硫化物与过氧化物的氧化中的应用提供了一种有效的方法，该方法可与不同的官能团相容，并导致良好的收率和选择性。但是，对影响不同催化剂反应性的因素的理解仍然很不完整。进行了一系列含各种取代的Salen和Salophen配体的V（V）配合物的实验和理论研究，目的是使催化剂的活性与钒中心的电子特性相关。获得的结果表明，空间因素在确定反应结果中起主要作用，通常可以克服电子效应。理论结果表明干预了氢过氧钒物质的催化循环。

  DOI：

  10.1016/j.cattod.2012.03.032

文献信息

• Catalytic carbonylation of three and four membered heterocycles
  申请人：——

  公开号：US20030162961A1

  公开（公告）日：2003-08-28

  Epoxides, aziridines, thiiranes, oxetanes, lactones, lactams and analogous compounds are reacted with carbon monoxide in the presence of a catalytically effective amount of catalyst having the general formula [Lewis acid] z+ {[QM(CO) x ] w− } y where Q is any ligand and need not be present, M is a transition metal selected from the group consisting of Groups 4, 5, 6, 7, 8, 9 and 10 of the periodic table of elements, z is the valence of the Lewis acid and ranges from 1 to 6, w is the charge of the metal carbonyl and ranges from 1 to 4 and y is a number such that w times y equals z, and x is a number such as to provide a stable anionic metal carbonyl for {[QM(CO) x ] w− } y and ranges from 1 to 9 and typically from 1 to 4.

  环氧化物、氮杂环丙烷、硫杂环丙烷、氧杂环丁烷、内酯、内酰胺和类似化合物在存在具有一定催化活性的催化剂的情况下与一般公式为[路易斯酸] z+ {[QM(CO) x ] w− } y的催化剂反应，其中Q是任何配体且不一定存在，M是从元素周期表的4、5、6、7、8、9和10族中选择的过渡金属，z是路易斯酸的化合价，范围从1到6，w是金属羰基的电荷，范围从1到4，y是一个数字，使得w乘以y等于z，x是一个数字，以提供稳定的阴离子金属羰基{[QM(CO) x ] w− } y，范围从1到9，通常从1到4。
• Thallium salen fluorescent tracers
  申请人：National Technology & Engineering Solutions of Sandia, LLC

  公开号：US10626127B1

  公开（公告）日：2020-04-21

  Thallium salens can be synthesized by reacting thallium alkoxide with a salen ligand. As examples of the invention, the dinuclear complexes Tl2-(salo-But) and Tl2-(saloPh-But) were synthesized by the reaction of thallium ethoxide with (H2-salo-But) or (H2-saloPh-But). These thallium salens may have applications as fluorescent tracers (or taggants) for subterranean fluid flows.

  硫代酮类化合物可以通过将硫代酮配体与硫代酮烷氧基反应合成。作为该发明的示例，通过将硫代酮乙氧基与（H2-硫代酮-丁基）或（H2-硫代酮苯基-丁基）反应合成了二核复合物Tl2-(硫代酮-丁基)和Tl2-(硫代酮苯基-丁基)。这些硫代酮类化合物可能在地下流体流动的荧光示踪剂（或标记剂）中应用。
• Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers
  作者：Timothy J. Boyle、Diana Perales、Jessica M. Rimsza、Todd M. Alam、Daniel M. Boye、Jeremiah M. Sears、Jeffery A. Greathouse、Richard A. Kemp

  DOI：10.1039/c7dt04121g

  日期：——

  [Tl₂(salo-Bu^t)] (1, shown) and [Tl₂(saloPh-Bu^t)] (2) were synthesized and characterized for use as monitors for deep subterranean fluid flows.

  [Tl₂(salo-Bu^t)]（1，如图所示）和[Tl₂(saloPh-Bu^t)]（2）已经合成并表征，用于监测深层地下流体流动。
• Cleavage of phosphate ester bonds by use of novel group 13 chelate compounds
  申请人：University of Kentucky Research Foundation

  公开号：US07105703B1

  公开（公告）日：2006-09-12

  A novel chemical compound has a general formula (LX)nY wherein X is selected from a group consisting of a group 13 element other than boron, Y is selected from a group consisting of a halide, a chlorate, a sulfate and a nitrate and L is a chelating ligand containing two nitrogen and two oxygen donor groups where n=1 or 2.

  一种新的化合物具有通用公式(LX)nY，其中X从除硼以外的第13族元素组中选择，Y从卤素、氯酸盐、硫酸盐和硝酸盐组中选择，L是含有两个氮和两个氧供体基团的螯合配体，其中n=1或2。
• Synthesis and Redox Behavior of Dicobalt Complexes Having Flexible and Rigid Linkers
  作者：Hisashi Shimakoshi、Satoshi Hirose、Masaaki Ohba、Takuya Shiga、Hisashi Okawa、Yoshio Hisaeda

  DOI：10.1246/bcsj.78.1040

  日期：2005.6

  New dicobalt complexes, [CoII2L], with Schiff-base ligands (L1–L4) having two discrete metal chelating sites, which are connected to each other by flexible and rigid linkers, have been synthesized. The complexes were characterized by IR, UV–vis, and mass spectroscopy as well as elemental analyses. A magnetic study indicates an antiferromagnetic interaction in 4. The redox behavior of the complexes was examined by means of cyclic voltammetry compared with those of the corresponding mononuclear complexes. Redox waves, identified to CoIII/CoII and CoII/CoI, were clearly observed. Electro-generated [CoI2L]2− reacts with alkyl halide at each metal center to give an organocobalt complex.

  合成了新型双钴配合物 [CoII2L]，其施夫碱配体 (L1–L4) 具有两个独立的金属螯合位点，通过柔性和刚性链连接在一起。通过红外光谱、紫外-可见光谱、质谱以及元素分析对这些配合物进行了表征。磁性研究表明在 4 中存在反铁磁相互作用。通过循环伏安法与相应的一核配合物进行比较，考察了这些配合物的氧化还原行为。明确观察到与 CoIII/CoII 和 CoII/CoI 相对应的氧化还原波。电生成的 [CoI2L]2− 在每个金属中心与烷基卤化物反应，生成有机钴配合物。