1,4,5,7-tetra-tert-butyldibenzo<1,4>dioxin-2,3-dione

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,4,5,7-tetra-tert-butyldibenzo<1,4>dioxin-2,3-dione
• 英文别名: 1,4,5,7-tetra-tert-butyldibenzo[1,4]dioxin-2,3-dione；1,4,6,8-Tetratert-butyldibenzo-p-dioxin-2,3-dione
• 化学式: C₂₈H₃₈O₄
• 分子量: 438.607
• InChiKey: BBMWJAHRMLGSPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  汞,三(三氟甲基)锗 、 1,4,5,7-tetra-tert-butyldibenzo<1,4>dioxin-2,3-dione 以 甲苯 为溶剂， 生成 bis[tris(trifluoromethyl)germyl]mercury 1,4,5,7-tetra-tert-butyldibenzo[1,4]dioxin-2,3-dione adduct
  参考文献：
  名称：

  双[三(三氟甲基)锗基]汞(ii witho-quinones)分子配合物的合成与热转化

  摘要：

  双[三(三氟甲基)锗基]汞(II) Hg[(CF3)3Ge]2(1)与o-醌(3,6-二-叔丁基苯醌-1,2(2), 3, 6-二叔丁基-4,5-二甲氧基苯醌-1,2 (3) 和 1,4,5,7-四叔丁基二苯并[1,4]二恶英-2,3-二酮 (4) ) 已经合成并通过元素分析、红外和电子吸收光谱表征。根据起始反应物之间的比例，o-醌与 1 的反应得到组成为 R2Hg · Q (5,7,9) 或 R2Hg · Q2 (6,8,10) 的配合物，其中 Q=2 (5,6 ),3 (7,8),4 (9,10); R=Ge(CF3)3。根据光谱数据，R2Hg·Q中的邻苯醌分子作为中性配体，而R2Hg·Q2中的第二个邻苯醌分子没有配位到1。

  DOI：

  10.1007/bf00714442

文献信息

• 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。
• Novel homoleptic bis-o-semiquinonato nickel complexes
  作者：Michael P. Bubnov、Nina A. Skorodumova、Evgenii V. Baranov、Artem S. Bogomyakov、Vladimir K. Cherkasov、Gleb.A. Abakumov

  DOI：10.1016/j.ica.2013.07.022

  日期：2013.9

  A number of square-planar bis-o-semiquinonato nickel complexes were obtained by the reaction of tetracarbonylnickel(0) with the derivatives of 3,6-di-tert-butyl-benzoquinone-1,2. Structural investigation of two complexes having annulated rings (N, N'-piperazino- and O,O'-1,2-ethanediolato-) in 4,5-back positions of quinonato ring detected square-planar molecular geometry. All complexes were studied by H-1 NMR, NIR-IR spectroscopy, magnetic susceptibility. Each compound has intensive absorption band in NIR-region which is attributed to b(1u) -> b*(3g) (in D-2h point symmetry) ligand based transition. Magnetic measurements indicate only one complex (with O,O'-1,2-ethanediolato - substituent) having magnetic moment corresponding to two noninteracting unpaired electrons (2.45 mu(B)). Magnetic moments of the other complexes are essentially lower and correspond to so-called singlet diradical character of complexes. So, in general, the order of frontier orbitals does not depend on the electronic properties of substituents in o-semiquinonato ligands with one mentioned exception. (C) 2013 Elsevier B.V. All rights reserved.
• LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP1521758B1

  公开（公告）日：2006-05-24
• US7247687B2
  申请人：——

  公开号：US7247687B2

  公开（公告）日：2007-07-24