potassium 3,5-dimethylphenolate | 90441-39-7

• 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: potassium 3,5-dimethylphenolate
• 英文别名: potassium 3,5-dimethylphenoxide；KOC6H3-3,5-(CH3)2；potassium;3,5-dimethylphenolate
• CAS: 90441-39-7
• 化学式: C₈H₉O*K
• 分子量: 160.257
• InChiKey: CJHRKAQLLIONKU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.62
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  potassium 3,5-dimethylphenolate 在 palladium on activated charcoal 氢气 作用下， 以 环己烷 、 水 为溶剂， 反应 24.0h， 生成 3,5-dimethylphenyl 2-tetrahydrofuroate
  参考文献：
  名称：

  3,5-二甲基苯酚/3,5-二甲基苯基酯在弱极性非质子溶剂中的简并酯交换。聚集体的反应和复合物引起的邻近效应

  摘要：

  在弱极性、非质子溶剂二氧戊环、二甲氧基乙烷 (DME)、四氢呋喃中测定了 3,5-二甲基苯酚锂-d 6 和一系列 3,5-二甲基苯酯之间 3,5-二甲基苯酚离子的交换速率(THF) 和吡啶。酯包括丙酸酯、丁酸酯、甲氧基乙酸酯、β-甲氧基丙酸酯、4-甲氧基丁酸酯、2-四氢糠酸酯、2-糠酸酯、(N,N-二甲氨基)乙酸酯、(甲硫基)乙酸酯、2-和4-吡啶-羧酸酯、2 -吡啶乙酸酯、4-吡啶乙酸酯、乙酸苯酯和对甲氧基-、对氯-和对-（三氟甲基）苯乙酸酯

  DOI：

  10.1021/ja00009a034

文献信息

• C(sp3)O Bond-Forming Reductive Elimination of Ethers from Bisphosphine-Ligated Benzylpalladium(II) Aryloxide Complexes
  作者：Seth L. Marquard、John F. Hartwig

  DOI：10.1002/anie.201101088

  日期：2011.7.25

  On the contrary: Isolated benzylpalladium aryloxide complexes undergo C(sp3)O bond‐forming reductive elimination by a stepwise ionic mechanism (see scheme) distinct from the accepted concerted pathway for reductive elimination of aromatic ethers from arylpalladium(II) species. The mechanism is proposed to result from dissociation of the aryloxide ligand followed by nucleophilic attack on the benzylic

  相反：隔离benzylpalladium芳醚络合物经历C（SP 3） O键形成通过逐步离子机制（参见方案）从用于从芳基钯（II）物质的芳族醚的还原消除接受一致途径截然不同的还原消除。提出该机理的原因是芳氧基氧化物配体解离，随后对苄基碳原子的亲核攻击。
• Sulfone-ester polymers containing pendent ethynyl groups
  申请人：The United States of America as represented by the National Aeronautics

  公开号：US04587312A1

  公开（公告）日：1986-05-06

  Sulfone-ester polymers containing pendent ethynyl groups and a direct and multi-step process for preparing same are disclosed. The multi-step process involves the conversion of a pendent bromo group to the ethynyl group while the direct route involves reacting hydroxy-terminated sulfone oligomer or polymers with a stoichiometric amount of 5-(4-ethynylphenoxy)isophthaloyl chloride. The 5-(4-ethynylphenoxy)isophthaloyl chloride and process for preparing same are also disclosed.

  本发明揭示了含有侧链乙炔基的磺酮酯聚合物以及制备它们的直接和多步骤过程。多步骤过程涉及将侧链溴基转化为乙炔基，而直接路线涉及将羟基终止的磺酮寡聚物或聚合物与等量的5-(4-乙炔基苯氧基)异苯二甲酰氯反应。本发明还揭示了5-(4-乙炔基苯氧基)异苯二甲酰氯及其制备方法。
• 5-(4-ethynylophenoxy)isophthalic chloride
  申请人：The United States of America as represented by the Administrator of the

  公开号：US04622182A1

  公开（公告）日：1986-11-11

  Sulfone-ester polymers containing pendent ethynyl groups and a direct and multi-step process for preparing same are disclosed. The multi-step process involves the conversion of a pendent bromo group to the ethynyl group while the direct route involves reacting hydroxy-terminated sulfone oligomer or polymers with a stoichiometric amount of 5-(4-ethynylphenoxy)isophthaloyl chloride. The 5-(4-ethynylphenoxy)isophthaloyl chloride and process for preparing same are also disclosed.

  本发明揭示了含有侧链乙炔基的磺酮酯聚合物以及制备这些聚合物的直接和多步骤过程。多步骤过程涉及将侧链溴基转化为乙炔基，而直接路线涉及将羟基终止的磺酮寡聚体或聚合物与5-(4-乙炔基苯氧基)异苯二甲酰氯的化学计量量反应。本发明还揭示了5-(4-乙炔基苯氧基)异苯二甲酰氯及其制备方法。
• Process for preparing para-hydroxybenzoic acid
  申请人：Kawasaki Steel Corporation

  公开号：US05124477A1

  公开（公告）日：1992-06-23

  The improved process for preparing para-hydroxybenzoic acid comprises reacting potassium phenol with carbon dioxide in an inert reaction medium or without using a reaction medium in the presence of at least one compound selected from the group consisting of the compounds represented by the following general formula I or II: ##STR1## at a reaction temperature of 230.degree.-450.degree. C. and at a carbon dioxide pressure ranging from atmospheric pressure to 6 kg/cm.sup.2 (G). The process may comprise two stages and the first-stage reaction described above is followed by the second stage in which the reaction is further continued with the pressure of carbon dioxide in the system being reduced and/or the reaction temperature being elevated within the range specified above. Also, phenol may be used as the starting material instead of potassium phenolate.

  改进的制备对羟基苯甲酸的过程包括在惰性反应介质中或在不使用反应介质的情况下，在以下通式I或II所表示的化合物组成的群体中选择至少一种化合物的存在下，将苯酚钾与二氧化碳反应，反应温度为230℃至450℃，二氧化碳压力在大气压至6 kg/cm²（G）范围内。该过程可以包括两个阶段，第一阶段反应如上所述，随后进行第二阶段，在该阶段中，系统中的二氧化碳压力降低和/或反应温度升高到上述范围内。此外，苯酚可以作为起始物质，而不是苯酚钾。
• Carboxylation of metal aryloxides
  申请人：Euroceltique S.A.

  公开号：EP0102833A1

  公开（公告）日：1984-03-14

  Metal aryloxides such as potassium phenoxide are carboxylated by reacting them in fluidized particulate form with carbon dioxide under vacuum at a temperature between ambient and 550°F (288°C).

  金属芳基氧化物（如苯氧钾）的羧化方法是在环境温度至 550°F（288°C）之间的真空条件下，将流化颗粒状的金属芳基氧化物与二氧化碳进行反应。