3,5-di-tert-butylquinone | 147265-71-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,5-di-tert-butylquinone
• 英文别名: 3,5-Ditert-butylcyclohex-4-ene-1,2-dione；3,5-ditert-butylcyclohex-4-ene-1,2-dione
• CAS: 147265-71-2
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: RMVWTXCEHZGHPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二叔丁基邻苯二酚 在 C₅₆H₄₀Cl₂Cu₂N₂O₈ 、 双氧水 作用下， 以 甲醇 为溶剂， 生成 3,5-di-tert-butylquinone
  参考文献：
  名称：

  含席夫碱共配体的查耳酮和黄酮醇铜（II）配合物：合成，晶体结构和类儿茶酚酶活性。

  摘要：

  制备了四个新的具有查尔酮或黄酮醇配体和席夫碱（N-苯基-5-氯水杨基亚胺）作为共配体的杂铜（II）配合物，对其化学和结构进行了表征，并作为功能仿生儿茶酚酶模型进行了研究。通过溶液合成制备配合物，并通过X射线衍射确定晶体和分子结构。通过元素分析，红外和电子吸收光谱以及电化学测量对复合物进行化学表征。具有方形金字塔形CuO4N核的铜（II）查耳酮配合物为双核，特征是席夫碱中的酚氧作为桥连原子，而铜（II）黄酮醇配合物为单核，并显示方形的平面CuO3N配位核。3中配合物的催化活性，通过分光光度法和电化学测量证实了5-二叔丁基邻苯二酚的氧化。动力学测量表明，与单核Cu（II）黄酮醇配合物相比，双核（含查尔酮）配合物具有增强的催化活性。相对较高的kcat值（300 – 750 h–1）证实了其可观的仿生儿茶酚酶样活性。

  DOI：

  10.5562/cca3334

文献信息

• Synthesis of mixed-valence hexanuclear Mn(<scp>ii/iii</scp>) clusters from its Mn(<scp>ii</scp>) precursor: variations of catecholase-like activity and magnetic coupling
  作者：Paramita Kar、Yumi Ida、Takuya Kanetomo、Michael G. B. Drew、Takayuki Ishida、Ashutosh Ghosh

  DOI：10.1039/c5dt00709g

  日期：——

  One Mn(II) coordination polymer, [Mn(o-(NO2)C6H4COO)2(pyz)(H2O)]n (1), has been synthesized and oxidized with n-Bu4NMnO4 in non-aqueous media to two mixed-valence hexanuclear Mn(II/III) complexes [MnIII2MnII4O2(pyz)0.61/(MeOH)0.39(o-(NO2)C6H4COO)10·(H2O)·(CH3)2CO}2]·(CH3)2CO (2) and [MnIII2MnII4O2(pyz)0.28/(MeCN)3.72(o-(NO2)C6H4COO)10·(H2O)] (3) (where pyz = pyrazine). All three complexes were characterized

  之一的Mn（II）的配位聚合物，[Mn（上ø - （NO 2）C 6 H ^ 4 COO）2（PYZ）（H 2 O）] Ñ（1），已经合成和与氧化的Ñ -Bu 4 NMnO 4在非水介质中于两个混合价六核锰（II / III）配合物[锰III 2锰II 4 ø 2（PYZ）0.61 /（甲醇）0.39（ø - （NO 2）C 6 H ^ 4 COO）10 ·（H 2 O）·（CH 3） 2 CO} 2 ]·（CH 3） 2 CO（ 2）和[锰III 2锰II 4 ø 2（PYZ） 0.28 /（MeCN中） 3.72（ ø - （NO 2）C 6 H 4 COO） 10 ·（H 2 O）]（ 3）（其中pyz =吡嗪）。通过元素分析，红外光谱，单晶X射线衍射分析和可变温度磁测量来表征这三个复合物。的结构分析揭示了复杂的1由PYZ的线性链的桥连的Mn（II），其被进一步连接至彼此顺式-反羧
• Synthesis, crystal structure, spectral and magnetic studies and catecholase activity of copper(II) complexes with di- and tri-podal ligands
  作者：Vimal K. Bhardwaj、Núria Aliaga-Alcalde、Montserrat Corbella、Geeta Hundal

  DOI：10.1016/j.ica.2009.09.041

  日期：2010.1

  Five complexes of copper(II) acetate with Schiff base ligands based on salicylaldehyde and N,N-dimethylamino) ethyl/propyl amine and their reduced products, have been synthesized and characterized by various spectroscopic methods. The solid state structures of 1, 2 and 3 have been determined using single crystal X-ray diffraction method. The structures of the other two compounds have been proposed on the basis of spectroscopic and physical methods. The compounds 1, 3 and 4 are dinuclear complexes of the tridentate ligands, where the two Cu(II) centers have square pyramidal geometry with bridging acetate or phenoxo groups. Each arm of the tripodand ligand forms a mononuclear, magnetically dilute complex 5 having five coordinated Cu(II) ions. Complex 2 is mononuclear with a square pyramidal stereochemistry. The catalytic performance of the oxidation of 3,5-di-tert-butylcatechol to quinone was studied using UV-Vis absorption spectral methods. Complex 4 exhibits the highest activity with a turn-over number of 41 h (1) while other showed lower rates of oxidation. A kinetic treatment on the basis of Michaelis-Menten model was applied. Ease of removal of the exogenous acetate ligands and easy access to the Cu(II) ions have been seen to affect the activity in the complexes. At the same time presence of two endogenous phenoxo bridges in the dinuclear complexes reduces the activity. (C) 2009 Elsevier B.V. All rights reserved.
• POLYHEDRAL CAGE-CONTAINING MESOPOROUS METAL-ORGANIC FRAMEWORKS AS PLATFORM FOR BIOCATALYSIS, METHODS OF MAKING THESE FRAMEWORKS, AND METHODS OF USING THESE FRAMEWORKS
  申请人：University of South Florida

  公开号：EP2721150B1

  公开（公告）日：2016-12-07
• US9404105B2
  申请人：——

  公开号：US9404105B2

  公开（公告）日：2016-08-02
• [EN] POLYHEDRAL CAGE-CONTAINING MESOPOROUS METAL-ORGANIC FRAMEWORKS AS PLATFORM FOR BIOCATALYSIS, METHODS OF MAKING THESE FRAMEWORKS, AND METHODS OF USING THESE FRAMEWORKS<br/>[FR] STRUCTURES ORGANOMÉTALLIQUES MÉSOPOREUSES CONTENANT UNE CAGE POLYÉDRIQUE COMME PLATEFORME DE BIOCATALYSE, PROCÉDÉS DE FABRICATION ET D'UTILISATION DE CES STRUCTURES
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2012174402A2

  公开（公告）日：2012-12-20

  Embodiments of the present disclosure provide compositions including polyhedral mesoporous metal-organic framework including a biomolecule (e.g., enzyme), methods of making these compositions, methods of use, and the like.