4,6-二叔丁基-3-氯环己-3,5-二烯-1,2-二酮 | 37780-09-9

• 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
• 中文名称: 4,6-二叔丁基-3-氯环己-3,5-二烯-1,2-二酮
• 英文名称: 3,5-di-tert-butyl-6-chloro-o-benzoquinone
• 英文别名: 4,6-di-tert-butyl-3-chloro-o-benzoquinone；3-chloro-4,6-di-tert-butyl-o-benzoquinone；6-Chlor-3,5-di-tert-butyl-benzochinon-(1,2)；3,5-tert-Butyl-6-chlor-benzochinon-(1,2)；3-Chloro-4,6-di-t-butylbenzochinon；3,5-Cyclohexadiene-1,2-dione, 3-chloro-4,6-bis(1,1-dimethylethyl)-；4,6-ditert-butyl-3-chlorocyclohexa-3,5-diene-1,2-dione
• CAS: 37780-09-9
• 化学式: C₁₄H₁₉ClO₂
• 分子量: 254.757
• InChiKey: ZKRLBHOGMYNZBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  4,6-二叔丁基-3-氯环己-3,5-二烯-1,2-二酮 以 various solvent(s) 为溶剂， 生成 一氧化碳
  参考文献：
  名称：

  Photodecomposition of substituted o-benzoquinones in saturated hydrocarbons: I. Kinetic relations

  摘要：

  Kinetic relations holding in photodecomposition of substituted o-benzoquinones were determined, and primary photodecomposition products were identified. Photochemical transformations of o-benzoquinones in saturated hydrocarbons were presumed to follow two pathways: decarbonylation and reduction. The first of these is favored by the presence of electron-donor substituents in the quinoid ring.

  DOI：

  10.1134/s1070363207040184
• 作为产物：
  描述：

  6-Chlor-3,5-di-tert.-butyl-brenzcatechin 在 sodium sulfate 、 silver(l) oxide 作用下， 生成 4,6-二叔丁基-3-氯环己-3,5-二烯-1,2-二酮
  参考文献：
  名称：

  Mueller,E. et al., Zeitschrift fur Naturforschung. Teil B: Chemie, Biochemie, Biophysik, Biologie, 1963, vol. 18b, p. 1002 - 1009

  摘要：

  DOI：

文献信息

• Triaryl/trialkylantimony(V) catecholates with electron-acceptor groups
  作者：A.I. Poddel'sky、I.V. Smolyaninov、N.T. Berberova、G.K. Fukin、V.K. Cherkasov、G.A. Abakumov

  DOI：10.1016/j.jorganchem.2015.04.045

  日期：2015.8

  5-DBCat)Sb(p-Tol)3 (7), (6-Br-3,5-DBCat)Sb(p-Tol)3 (8) in crystals were determined by single-crystal X-ray analysis. In the accordance with cyclic voltammetry data, the oxidation of complexes proceeds in two successive stages with a formation of mono- and dicationic derivatives. The modification of Ph groups at antimony with different substituents does not affect appreciably the redox potentials of complexes

  许多新的CatSbR 3类型的锑（V）配合物（R =乙基，邻甲苯基，对甲苯基，对氟苯基，对氯苯基）与4-氯-3,6-二叔丁基-邻苯二酚（4-Cl-3,6-DBCat），6-氯-，6-溴和6-硝基-3,5-二叔丁基-邻苯二酚（6-X-3,5-DBCat，X = Cl合成，表征了Br，NO 2）的氧化还原活性配体。（4-Cl-3,6-DBCat）Sb（o-Tol）3（2），（6-Cl-3,5-DBCat）Sb（p-Tol）3（7），（6的分子结构-Br-3,5-DBCat）Sb（对-Tol）3（8通过单晶X射线分析确定晶体中的α）。根据循环伏安数据，复合物的氧化过程在两个连续的阶段进行，形成了单价和二价衍生物。用不同的取代基修饰锑上的Ph基团不会明显影响氧化还原活性配体中包含电子受体基团的配合物的氧化还原电位。
• Reversible Binding of Molecular Oxygen to Catecholate and Amidophenolate Complexes of Sb^V: Electronic and Steric Factors
  作者：Georgy K. Fukin、Evgenii V. Baranov、Andrey I. Poddel'sky、Vladimir K. Cherkasov、Gleb A. Abakumov

  DOI：10.1002/cphc.201200728

  日期：2012.12.7

  Edge of reactivity: The reactions of reversible binding of molecular oxygen to catecholate and amidophenolate complexes of SbV are investigated by analyzing the position of electronic (EHOMO) and steric (G‐parameter) factors. The optimal electronic and steric parameters for such type reactions are found.

  反应性边缘：通过分析电子（E HOMO）和空间（G参数）因子的位置，研究了分子氧与Sb V的儿茶酚酸酯和酰胺酚酸酯配合物的可逆结合反应。找到了这类反应的最佳电子和空间参数。
• New dioxygen-inert triphenylantimony(v) catecholate complexes based on o-quinones with electron-withdrawing groups
  作者：A. I. Poddel’sky、I. V. Smolyaninov、Yu. A. Kurskii、N. T. Berberova、V. K. Cherkasov、G. A. Abakumov

  DOI：10.1007/s11172-009-0052-0

  日期：2009.3

  New triphenylantimony(v) catecholate complexes were synthesized by oxidative addition of sterically hindered o-benzoquinones containing electron-withdrawing substituents in different positions of the carbon ring to triphenylantimony. The complexes were characterized using IR spectroscopy, NMR spectroscopy, and cyclic voltammetry. The oxygen-inertness of the complexes is shown by NMR spectroscopy and electrochemical studies. The introduction of electron-withdrawing substituents to the catecholate ligand shifts the first oxidation potential of the complexes to the electropositive region and thus deactivates the triphenylantimony(v) catecholate complexes in the reaction with molecular oxygen.

  通过在三苯基锑的碳环上不同位置添加含有抽电子取代基的立体受阻邻苯醌，氧化合成了新的三苯基锑（v）邻苯二酚配合物。利用红外光谱、核磁共振光谱和循环伏安法对这些配合物进行了表征。核磁共振波谱和电化学研究显示了这些配合物的氧惰性。在邻苯二酚配体中引入抽电子取代基使络合物的第一氧化电位转移到电正区域，从而使邻苯二酚三苯基锑（v）络合物在与分子氧的反应中失去活性。
• Late transition metal catalysts for olefin polymerization and oligomerization
  申请人：Cherkasov Kuzunich Vladimir

  公开号：US20060047094A1

  公开（公告）日：2006-03-02

  This invention relates to a transition metal compound represented by the formula LMX wherein M is a Group 3 to 11 metal L is a bulky bidentate or tridentate neutral ligand that is bonded to M by two or three heteroatoms and at least one heteroatom is nitrogen; X is a substituted or unsubstituted catecholate ligand provided that the substituted catecholate ligand does not contain a 1,2-diketone functionality.

  本发明涉及一种由式LMX所表示的过渡金属化合物，其中M是第3到11族金属，L是一种笨重的双或三齿中性配体，通过两个或三个杂原子与M结合，至少一个杂原子是氮；X是一种取代或未取代的邻二酚配体，但取代的邻二酚配体不含1,2-二酮官能团。
• Study of disproportionation of some substituted 2-Hydroxyphenoxyl radicals
  作者：B. L. Tumanskii、A. I. Prokof'ev、N. N. Bubnov、S. P. Solodovnikov、A. A. Khodak

  DOI：10.1007/bf00957923

  日期：1983.2

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