Phenyl 4-ethoxybenzoate | 115967-46-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: Phenyl 4-ethoxybenzoate
• 英文别名: 4-ethoxy-benzoic acid phenyl ester；4-Aethoxy-benzoesaeure-phenylester
• CAS: 115967-46-9
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: XXPIADQGCYAXLN-UHFFFAOYSA-N

物化性质

• 沸点：
  380.2±25.0 °C(predicted)
• 密度：
  1.135±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  烟酸苯酯 、 4-溴苯乙醚 在 4-二甲氨基吡啶 、 3,4-bis(dicyclohexylphosphino)thiophene 、 nickel diacetate 、 sodium carbonate 、 锌 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以41%的产率得到Phenyl 4-ethoxybenzoate
  参考文献：
  名称：

  镍催化剂催化芳香族酯与卤代芳烃和戊烯醇的酯转移反应

  摘要：

  开发了芳族酯与芳基卤化物/芳烃的催化酯转移反应。本反应可以将酯官能团从某些芳族酯转移至卤代芳烃。这种酯转移反应涉及到镍催化剂上的两种氧化加成反应（一种是芳香族酯的C–C键，另一种是卤代芳烃的C–卤素键）。使用能够裂解两个化学键的Ni / dcypt催化剂是反应进展的关键。此外，基于萘酚的芳基亲电试剂也可通过C–O键活化而应用于催化体系。

  DOI：

  10.1021/acscatal.0c00291

文献信息

• Substituent Effects on the Base-Catalysed Hydrolysis of Phenyl Esters of para-Substituted Benzoic Acids
  作者：Ingrid Bauerová、Miroslav Ludwig

  DOI：10.1135/cccc20001777

  日期：——

  Seventeen model phenyl esters of 4-substituted benzoic acids were synthesised by the reaction of substituted benzoyl chlorides with phenol in aqueous alkaline solutions (Schotten-Baumann reaction), in pyridine (Einhorn reaction), or by the reaction of substituted benzoic acids with phosphorus oxychloride. Structures and purity of the model compounds were confirmed by ¹H NMR and ¹³C NMR spectroscopy as well as by HPLC and elemental analysis. Phenyl 4-aminobenzoate was synthesised by reduction of phenyl 4-nitrobenzoate in methanol on palladium. Kinetics of base-catalysed hydrolysis of model phenyl esters occurring by the B_Ac2 mechanism were measured by UV spectrophotometry in 50% (v/v) aqueous dimethyl sulfoxide solutions at 25 °C under pseudo-first-order conditions, (c[NaOH] = 0.001-1.0 mol l^-1). The addition of OH^- to phenyl benzoates was used to establish the kinetic J_-^E acidity scale. Linear relation between J_-^E and log k_obs with the slope near unity was found for all the model compounds. The kinetic constants of hydrolysis of phenyl esters of 4-substituted benzoic acids precisely obey the Hammett relationship (σ_p) with ρ = 2.44. Quantitatively comparable results have been obtained by application of Alternative Interpretation of Substituent Effects theory (AISE) using the σⁱ set of substituent constants.

  4-取代苯甲酸的17种模型苯酯通过取代苯甲酰氯与酚在水性碱性溶液中（Schotten-Baumann反应），在吡啶中（Einhorn反应），或通过取代苯甲酸与氯化亚磷酸反应合成。模型化合物的结构和纯度通过¹H NMR和¹³C NMR光谱以及HPLC和元素分析得到确认。苯基4-氨基苯甲酸是通过在钯上在甲醇中还原苯基4-硝基苯甲酸合成的。在25°C下，通过伪一级条件（c[NaOH] = 0.001-1.0 mol l^-1）在50%（体积比）水性二甲基亚砜溶液中，利用UV分光光度法测量了发生B_Ac2机制的模型苯酯的碱催化水解动力学。将OH^-加入苯基苯甲酸酯以建立动力学J_-^E酸度标度。对于所有模型化合物，发现了J_-^E与log k_obs之间的线性关系，斜率接近于单位。4-取代苯甲酸酯的水解动力学常数精确遵守Hammett关系（σ_p），ρ = 2.44。使用σⁱ取代基常数集合，通过应用替代取代基效应理论（AISE），获得了定量可比较的结果。
• Catalyst component, its preparation and use in polymerization of alpha-olefins
  申请人：TOA NENRYO KOGYO KABUSHIKI KAISHA

  公开号：EP0050498A1

  公开（公告）日：1982-04-28

  A supported titanium containing catalyst component for use in propylene polymerization is prepared by co-pulverizing a magnesium haiide, an aromatic carboxylic acid ester and an aromatic carboxylic acid or a derivative thereof such the halide or anhydride and contacting the magnesium-containing solid with a titanium compound. The polymerization of propylene in the presence of a catalyst comprising this component and an organoaluminum compound produces polypropylene of high bulk density.

  一种用于丙烯聚合的支撑型含钛催化剂组分的制备方法是：将卤化镁、芳香族羧酸酯和芳香族羧酸或其衍生物（如卤化物或酸酐）共同粉碎，并将含镁固体与钛化合物接触。 在由该组分和有机铝化合物组成的催化剂存在下，丙烯的聚合可产生高体积密度的聚丙烯。
• Catalyst components for polymerization of alpha-olefins and processes for their preparation and use
  申请人：TOA NENRYO KOGYO KABUSHIKI KAISHA

  公开号：EP0050497A1

  公开（公告）日：1982-04-28

  A supported titanium-containing catalyt component for .alpha-olefin polymerization is prepared by contacting a magnesium halide such as magnesium dichloride, an electron donor compound such as ethylbenzoate, an aromatic carboxylic acid or its derivative such as benzoyl chloride, an organic aluminum chloride compound such as ethylaluminum dichloride and a titanium compound such as titanium tetrachloride. The supported titanium-containing catalyst component in combination with an aluminum alkyl cocatalyst is useful for obtaining polypropylene having good bulk density.

  通过将卤化镁（如二氯化镁）、电子供体化合物（如苯甲酸乙酯）、芳香族羧酸或其衍生物（如苯甲酰氯）、有机氯化铝化合物（如二氯化铝乙酯）和钛化合物（如四氯化钛）接触，制备出一种用于α-烯烃聚合的支撑型含钛催化剂组分。 支撑型含钛催化剂组分与铝烷基助催化剂结合使用，可用于获得具有良好体积密度的聚丙烯。
• Olefin polymerization process
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0155716A1

  公开（公告）日：1985-09-25

  A process for the polymerization of an alpha mono-olefin in the presence of certain supported coordination catalysts systems which comprise (a) a procatalyst, (b) a cocatalyst and, (c) a selectivity control agent, wherein (a) is a solid composition comprising magnesium chloride, titanium tetrachloride, and an electron donor; (b) is an aluminium trialkyl; and (c) is a combination of a strong selectivity control agent and a weak selectivity control agent.

  一种在某些支撑配位催化剂体系存在下聚合α-单烯烃的工艺，该催化剂体系包括 (a) 催化剂、(b) 助催化剂和 (c) 选择性控制剂，其中 (a) 是由氯化镁、四氯化钛和电子供体组成的固体组合物； (b) 是三烷基铝；和 (c) 是强选择性控制剂和弱选择性控制剂的组合。
• Process for preparing polycarbonate and apparatus for preparing polycarbonate
  申请人：General Electric Company

  公开号：US20030088051A1

  公开（公告）日：2003-05-08

  A process for preparing an end-capped polycarbonate comprises melt reacting an aromatic dihydroxy compound, a carbonic acid diester, and optionally a catalyst in a prepolymerization vessel to form a polycarbonate product; transferring the polycarbonate product from the prepolymerization vessel; mixing the polycarbonate product with an end-capping agent under hermetic seal at a pressure of at least about 760 mm Hg; and transferring the polycarbonate product and end-capping agent mixture to a postpolymerization vessel to endcap the polycarbonate product. An apparatus for preparing an end-capped polycarbonate comprises a prepolymerization vessel having and inlet and an outlet; a postpolymerization vessel having an inlet and an outlet; a mixer in fluid communication with the outlet of the prepolymerization vessel and the inlet of the postpolymerization vessel; and a charging port through which an end-capping agent is charged to the mixer, wherein the mixer is hermetically sealed at greater than or equal to 760 mm Hg.

  一种制备封端聚碳酸酯的工艺包括：在预聚合容器中熔融反应芳香族二羟基化合物、碳酸二酯和催化剂，形成聚碳酸酯产品；将聚碳酸酯产品从预聚合容器中转移出来；在至少约 760 毫米汞柱的压力下，在密封条件下将聚碳酸酯产品与封端剂混合；以及将聚碳酸酯产品和封端剂混合物转移到后聚合容器中，对聚碳酸酯产品进行封端。一种用于制备端盖聚碳酸酯的设备包括：一个具有入口和出口的预聚合容器；一个具有入口和出口的后聚合容器；一个与预聚合容器的出口和后聚合容器的入口流体相通的混合器；以及一个将端盖剂装入混合器的装料口，其中混合器在大于或等于 760 毫米汞柱的压力下密封。