3,3,3′,3′-tetramethyl-1,1′-spirobi(indan)-4,4′,7,7′-tetrabromo-5,5′,6,6′-tetraol | 55468-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 3,3,3′,3′-tetramethyl-1,1′-spirobi(indan)-4,4′,7,7′-tetrabromo-5,5′,6,6′-tetraol
• 英文别名: 4,7,4',7'-tetrabromo-3,3,3',3'-tetramethyl-2,3,2',3'-tetrahydro-[1,1']spirobiindene-5,6,5',6'-tetraol；(+/-)-4.7.4'.7'-Tetrabrom-5.6.5'.6'-tetrahydroxy-3.3.3'.3'-tetramethyl-[1.1']spirobiindan；(+/-)-4.7.4'.7'-Tetrabrom-3.3.3'.3'-tetramethyl-[1.1']spirobiindantetrol-(5.6.5'.6')；4,7,4',7'-Tetrabrom-3,3,3',3'-tetramethyl-2,3,2',3'-tetrahydro-[1,1']spirobiinden-5,6,5',6'-tetraol；4,4',7,7'-tetrabromo-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol
• CAS: 55468-61-6
• 化学式: C₂₁H₂₀Br₄O₄
• 分子量: 656.003
• InChiKey: SCVDYKNGBCEKLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3,3′,3′-tetramethyl-1,1′-spirobi(indan)-4,4′,7,7′-tetrabromo-5,5′,6,6′-tetraol 在 吡啶 、 氯磺酸 作用下， 生成 3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7'-tetrabromo-5,5',6,6'-tetrol tetrasulfate
  参考文献：
  名称：

  A New Class of HIV-1 Integrase Inhibitors:  The 3,3,3‘,3‘-Tetramethyl-1,1‘-spirobi(indan)-5,5‘,6,6‘-tetrol Family

  摘要：

  Integration is a required step in HIV replication, but as yet no inhibitors of the integration step have been developed for clinical use. Many inhibitors have been identified that are active against purified viral-encoded integrase protein; of these many contain a catechol moiety. Though this substructure contributes potency in inhibitors, it is associated with toxicity and so the utility of catechol-containing inhibitors has been questioned. We have synthesized and tested a systematic series of derivatives of a catechol-containing inhibitor (1) with the goal of identifying catechol isosteres that support inhibition. We find that different patterns of substitution on the aromatic ring suffice for inhibition when Mn2+ is used as a cofactor. Importantly, the efficiency is different when Mg2+, the more likely in vivo cofactor, is used. These data emphasize the importance of assays with Mg2+ and offer new catechol isosteres for use in integrase inhibitors.

  DOI：

  10.1021/jm990600c
• 作为产物：
  描述：

  2,6-二甲基-2,5-庚二烯-4-酮 在 盐酸 、 溴 、 溶剂黄146 作用下， 生成 3,3,3′,3′-tetramethyl-1,1′-spirobi(indan)-4,4′,7,7′-tetrabromo-5,5′,6,6′-tetraol
  参考文献：
  名称：

  368. 1：2：3：4-四羟基苯的衍生物。第三部分 莳萝apiol的合成和Dakin反应的扩展

  摘要：

  DOI：

  10.1039/jr9340001681

文献信息

• Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes
  作者：Gemma K. Gransbury、Brooke N. Livesay、Jett T. Janetzki、Moya A. Hay、Robert W. Gable、Matthew P. Shores、Alyona Starikova、Colette Boskovic

  DOI：10.1021/jacs.0c01073

  日期：2020.6.17

  Bis(dioxolene)-bridged dinuclear cobalt compounds provide an avenue toward controlled two-step valence tautomeric (VT) interconversions of the form CoIII-cat-cat-CoIII} ⇌ CoIII-cat-SQ-CoII} ⇌ CoII-SQ-SQ-CoII} (cat2- = catecholate, SQ•- = semiquinonate). The four dinuclear cobalt complexes in this study are bridged by deprotonated 3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6'-tetraol (spiroH4)

  双(二氧戊环)-桥连双核钴化合物为 CoIII-cat-cat-CoIII} ⇌ CoIII-cat-SQ-CoII} ⇌ CoII-SQ 形式的受控两步价互变异构 (VT) 互变提供了途径-SQ-CoII}（cat2- = 儿茶酚酸盐，SQ•- = 半醌酸盐）。本研究中的四种双核钴配合物由去质子化的 3,3,3',3'-四甲基-1,1'-螺二（茚满）-5,5',6,6'-四醇（spiroH4）或 3 ,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7'-tetrabromo-5,5',6,6'-tetraol (Br4spiroH4) 与 Mentpa 辅助配体（tpa = 三（2-吡啶基甲基）胺，n = 0-3 对应于吡啶环 6 位的甲基化）。互补的结构、磁性、光谱和 DFT 计算研究揭示了四种钴配合物的不同电子结构和 VT 行为；
• Controlling Spin Crossover in a Family of Dinuclear Fe(III) Complexes via the Bis(catecholate) Bridging Ligand
  作者：Jett T. Janetzki、Maxim G. Chegerev、Gemma K. Gransbury、Robert W. Gable、Jack K. Clegg、Roger J. Mulder、Guy N. L. Jameson、Alyona A. Starikova、Colette Boskovic

  DOI：10.1021/acs.inorgchem.3c02598

  日期：2023.9.25

  the solid state, magnetic and structural analysis shows that 1 remains in the [HS–HS] state, while 2 and 3 undergo a partial SCO interconversion upon cooling from room temperature involving the mixed [LS–HS] state. In solution, all complexes undergo SCO from [HS–HS] at room temperature, via [LS–HS] to mixtures including [LS–LS] at 77 K, with the extent of SCO increasing in the order 1 < 2 < 3. Gas

  自旋交叉（SCO）配合物可以在低自旋（LS）和高自旋（HS）状态之间可逆地转换，在传感、显示和分子电子学方面提供了可能的应用。具有[LS-LS]、[LS-HS]和[HS-HS]状态的双核SCO配合物可以提供更高水平的功能。双核配合物中 SCO 互变的性质受到局部电子环境的影响。我们报道了 [Fe III (tpa)} 2螺环](PF 6 ) 2 ( 1 )、[Fe III (tpa)} 2 Br 4螺环](PF 6 ) 2 ( 2 ) 的合成和表征，以及[Fe III (tpa)} 2 thea](PF 6 ) 2 ( 3 ) (tpa = 三(2-吡啶甲基)胺, 螺H 4 = 3,3,3′,3′-四甲基-1,1′- spirobi(茚满)-5,5′,6,6′-四醇, Br 4 spiroH 4 = 3,3,3′,3′-四甲基-1,1′-spirobi(茚满)-4,4′,7 ,7'-四溴-5
• 70. Condensation products of phenols and ketones. Part II. Catechol and acetone
  作者：Wilson Baker、John C. McGowan

  DOI：10.1039/jr9380000347

  日期：——
• METHOD FOR ENRICHING A HOMOGENEOUS CATALYST FROM A PROCESS FLOW
  申请人：Priske Markus

  公开号：US20120046503A1

  公开（公告）日：2012-02-23

  The invention relates to a method for enriching a homogenous catalyst from a process flow comprising said homogenous catalyst as a component, wherein the process flow is conducted over at least one membrane and wherein the membrane wholly or partially comprises a polymer that has planar polymer units connected to one another via a rigid link and wherein the linker is contorted, such that at least one planar polymer unit is connected to at least one second planar polymer unit via the link, in a non-co-planar arrangement. The invention furthermore relates to a method for producing tridecanal.
• US8969628B2
  申请人：——

  公开号：US8969628B2

  公开（公告）日：2015-03-03