1-(3,5-di-tert-butyl-2-hydroxyphenyl)imidazole | 78009-23-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3,5-di-tert-butyl-2-hydroxyphenyl)imidazole
• 英文别名: 2,4-ditert-butyl-6-imidazol-1-ylphenol
• CAS: 78009-23-1
• 化学式: C₁₇H₂₄N₂O
• 分子量: 272.39
• InChiKey: MGJDFZLORHPIHU-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  379.3±42.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.05
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(3,5-di-tert-butyl-2-hydroxyphenyl)imidazole 在 磷酸 作用下， 反应 4.0h， 以99%的产率得到2-咪唑-1-基苯酚
  参考文献：
  名称：

  Selective Preparations; 36¹. A Convenient Preparation of 2- and 4-(1-Imidazolyl)-phenols and their Benzo Analogs using thet-Butyl Group as a Positional Protective Group

  摘要：

  DOI：

  10.1055/s-1982-29753
• 作为产物：
  描述：

  2,4-二叔丁基苯酚 在 copper(l) iodide 、 碘 、 caesium carbonate 、 potassium hydroxide 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 1.17h， 生成 1-(3,5-di-tert-butyl-2-hydroxyphenyl)imidazole
  参考文献：
  名称：

  一种可聚合配体化合物、聚合物配体及其金属配合物

  摘要：

  本发明涉及一种可聚合配体化合物、聚合物配体及其金属配合物，还涉及催化剂载体和非均相催化剂，以及它们的制备方法。本发明的可聚合配体化合物，其同时具有双齿卡宾结构和可聚合基团，从而在聚合后形成在侧链具有双齿卡宾结构的聚合物配体，该聚合物配体与金属原子配位后形成的配合物可用作非均相催化剂。本发明的非均相催化剂的催化活性高、金属结合能力强、金属活性中心分布更均匀且与配体的协同作用更强。

  公开号：

  CN114057649B

文献信息

• Homo- and copolymerization of norbornene with tridentate nickel complexes bearing<i>o</i>-aryloxide-N-heterocyclic carbene ligands
  作者：Dandan Yang、Jie Dong、Baiquan Wang

  DOI：10.1039/c7dt03928j

  日期：——

  tridentate o-aryloxide-N-heterocyclic carbene nickel complexes Ni1–Ni3 were synthesized, and the molecular structure of Ni3 was confirmed by X-ray crystallography. In comparison with the above tridentate complexes, the bidentate bis(aryloxide-NHC) nickel complex Ni4 was also synthesized. On activation with either Et2AlCl or Me2AlCl, all nickel complexes showed low activity toward norbornene (NB) homopolymerization

  合成了一系列新型的钳型三齿邻芳基氧化物-N-杂环卡宾镍配合物Ni1-Ni3，并通过X射线晶体学证实了Ni3的分子结构。与上述三齿配合物相比，还合成了双齿双（芳氧基-NHC）镍配合物Ni4。在用Et 2 AlCl或Me 2 AlCl活化时，所有镍络合物对降冰片烯（NB）均聚均显示低活性。令人惊讶的是，Ni1-Ni3催化剂对均聚反应具有中等至高的活性（高达3.21×10 6 g PNB（Ni的摩尔）-1 h -1）和降冰片烯与1-辛烯（最高达1.39×10 5 g聚合物（Ni摩尔）-1 h -1）与B（C 6 F 5）3作为助催化剂的共聚合，即使在100°C，也表明三齿镍催化剂具有很高的热稳定性。值得注意的是，三齿Ni1-Ni3配合物显示出比相应的双齿双（芳氧基-NHC）镍配合物Ni4更好的活性。所获得的聚（NB - co -1-辛烯）被证实是乙烯基加成共聚物，具有较高的1-辛烯插入率（9％–17％），良好的热稳定性（T
• Fukata, Gouki; Itoh, Takashi; Tashiro, Masashi, Heterocycles, 1981, vol. 16, # 4, p. 549 - 554
  作者：Fukata, Gouki、Itoh, Takashi、Tashiro, Masashi

  DOI：——

  日期：——
• <i>o</i>-Aryloxide-N-heterocyclic Carbenes: Efficient Synthesis of the Proligands and Their <i>p</i>-Cymene Ruthenium Complexes
  作者：Dandan Yang、Yungang Tang、Haibin Song、Baiquan Wang

  DOI：10.1021/acs.organomet.5b00256

  日期：2015.5.26

  An efficient method to synthesize o-hydroxyaryl-substituted imidazoles (2-OH-3-R-5-(BuC6H2)-Bu-t)(C3H3N2) [R = Bu-t (1a), H (1b)] was developed through copper-catalyzed C-N bond formation. Treatment of 1a or 1b with a halohydrocarbon in refluxing toluene afforded a series of o-hydroxyaryl imidazolinium proligands 2a-h in high yields. Reactions of proligands 2a-h with Ag2O and [(p-cymene)RuCl2](2) gave the corresponding o-aryloxide-N-heterocyclic carbene ligated p-cymene ruthenium complexes 3a-h. All the imidazolium salts and ruthenium complexes were fully characterized by H-1 and C-13 NMR spectra, elemental analysis, and high-resolution mass spectrometry. Without the cocatalyst or irradiation, these complexes can efficiently catalyze norbomene ring-opening metathesis polymerization. Notably, the structures of the catalysts were found to have significant effects on the catalytic activity and the properties of obtained polymers.
• Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentate <i>o</i>-Aryloxide-N-heterocyclic Carbene Ligands
  作者：Dandan Yang、Yungang Tang、Haibin Song、Baiquan Wang

  DOI：10.1021/acs.organomet.5b01006

  日期：2016.5.23

  A series of new pincer-type tridentate o-aryloxide-N-heterocyclic carbene ligands 2a-d were synthesized. Treatment of the proligands with Ag2O and (COD)PdCl2 afforded the desired o-aryloxide-NHC tridentate palladium complexes 3a-d in high yields (NHC = N-heterocyclic carbene). In comparison with the above tridentate complexes, bidentate bis(aryloxide-NHC) palladium complex 3e was also synthesized. All of these complexes were fully characterized by H-1 and C-13 NMR spectroscopy, high-resolution mass spectrometry, and elemental analysis. The molecular structures of 3a,b,d,e were determined by single-crystal X-ray diffraction analysis. On activation with either methylaluminoxane (MAO) or diethylaluminum chloride (Et2AlCl), all palladium complexes exhibited excellent activities of up to 5.99 x 10(7) g of PNB (mol of Pd)(-1) h(-1) toward norbornene addition polymerization, and the monomer conversion is up to 99.9%. Notably, the tridentate palladium complexes show better activities than the corresponding bidentate bis(aryloxide-NHC) palladium complexes in the presence of MAO. The resulting polymers were soluble in CHCl3 when the reactions were conducted in the presence of Et2AlCl and were characterized by gel permeation chromatography (GPC).
• FUKATA GOUKI; ITOH TOKASHI; TASHIRO MASASHI, HETEROCYCLES, 1981, 16, NO 4, 549-554
  作者：FUKATA GOUKI、 ITOH TOKASHI、 TASHIRO MASASHI

  DOI：——

  日期：——