lithium 4-bromophenolate | 114299-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: lithium 4-bromophenolate
• 英文别名: Lithium;4-bromophenolate
• CAS: 114299-83-1
• 化学式: C₆H₄BrO*Li
• 分子量: 178.942
• InChiKey: DPZKYOBXEQZXHW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.47
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  lithium 4-bromophenolate 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 2.0h， 生成 tris[4-(N-hydroxy-tert-butylamino)phenyldimethylsilyl]methylsilane
  参考文献：
  名称：

  Synthesis of Phenylnitroxides Bridged by an sp³-Linkage

  摘要：

  Silicon- and carbon-bridged phenylnitroxides were synthesized. They exhibited similar ESR profiles independent of the nature of the sp(3) bridge and the substitution mode of the phenylene units. The spectra revealed a quintet signal at room temperature, which became a broad triplet by lowering the temperature. Accumulated ESR measurements at 77 K led to the successful observation of a signal at Deltam(s) = 2, indicating that the triplet state was involved in this system.

  DOI：

  10.1021/ol017093p
• 作为产物：
  描述：

  4-溴苯酚 、 正丁基锂 生成 lithium 4-bromophenolate
  参考文献：
  名称：

  HAHN, H.;TOIFL, E.;MEINDL, W.;UTVARY, K., MONATSCH. CHEM., 1984, 115, N 8-9, 881-897

  摘要：

  DOI：

文献信息

• Iron‐Catalyzed Room Temperature Cross‐Couplings of Bromophenols with Aryl Grignard Reagents
  作者：Li‐Chen Xu、Kun‐Ming Liu、Xin‐Fang Duan

  DOI：10.1002/adsc.201900839

  日期：2019.12.3

  Herein we report a room temperature Fe‐catalyzed coupling reaction of various bromophenols with aryl Grignard reagents, which exhibits a wide substrate scope and high functional group tolerance. For the first time, the combination of simple Fe(acac)3/PBu3/Ti(OEt)4 has been used as an effective catalyst for the biaryl couplings of bromophenols or their Na or K salts with debromination and etherification

  本文报道了各种溴酚与芳基格氏试剂的室温铁催化偶联反应，该反应具有较宽的底物范围和较高的官能团耐受性。首次将简单的Fe（acac）3 / PBu 3 / Ti（OEt）4的组合用作溴酚或其Na或K盐的联芳基偶联的有效催化剂，脱溴和醚化副反应很好压抑。使用本方案可轻松合成各种双酚，包括天然产物garbibiphenyl C以及药用双氟尼醛及其乙酯。
• Copper-Catalyzed Electrochemical Selective B–H Oxygenation of <i>o</i>-Carboranes at Room Temperature
  作者：Yik Ki Au、Hairong Lyu、Yangjian Quan、Zuowei Xie

  DOI：10.1021/jacs.0c02490

  日期：2020.4.15

  Copper-catalyzed electrochemical selective cage B-H oxygenation of o-carboranes has been achieved for the first time. Under constant electric current (4.0 mA) at room temperature, copper-catalyzed cross-coupling of carboranyl amides with lithium phenolates results in the formation of B(4,5)-diphenolated-o-carboranes via direct B-H activation, whereas the use of lithium tert-butoxide affords B(4)-monooxygenated

  首次实现了邻碳硼烷的铜催化电化学选择性笼式 BH 氧化。在室温下恒定电流 (4.0 mA) 下，铜催化的碳硼酰胺与苯酚锂的交叉偶联导致通过直接 BH 活化形成 B(4,5)-二酚-邻碳硼烷，而使用叔丁醇锂提供 B(4)-单氧化产物。该反应不需要任何额外的化学氧化剂，并生成 H2 和锂盐作为副产物。对照实验表明，反应过程中可能涉及高价 Cu(III) 物质。
• Structure−Activity Correlation in Titanium Single-Site Olefin Polymerization Catalysts Containing Mixed Cyclopentadienyl/Aryloxide Ligation
  作者：Thomas A. Manz、Khamphee Phomphrai、Grigori Medvedev、Balachandra B. Krishnamurthy、Shalini Sharma、Jesmin Haq、Krista A. Novstrup、Kendall T. Thomson、W. Nicholas Delgass、James M. Caruthers、Mahdi M. Abu-Omar

  DOI：10.1021/ja0640849

  日期：2007.4.1

  In this work, we report the synthesis of eighteen titanium cyclopentadienyl aryloxide complexes and their propagation rate constants for 1-hexene polymerization. A correlation between k(p) values and the underlying catalyst structures is developed using DFT-computed ligand cone angles and ion pair separation energies as structural and electronic descriptors. The correlation takes the form of an Arrhenius-like relationship where the pre-exponential factor is correlated to the ligand cone angles and the activation energy term is correlated to the ion pair separation energies. This finding is consistent with the idea that the ability of the monomer to access the metal center is a key factor affecting the reaction rate.