benzyl propionate | 13098-93-6

• 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: benzyl propionate
• 英文别名: propioic acid-4-methylbenzyl ester；p-methylbenzyl propionate；(4-Methylphenyl)methyl propanoate
• CAS: 13098-93-6
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD25969896
• 分子量: 178.231
• InChiKey: ZCEMSEPZHMDVMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丙酸 、 4-甲基苄溴 以 neat (no solvent) 为溶剂， 反应 0.67h， 以90%的产率得到benzyl propionate
  参考文献：
  名称：

  Esterification of carboxylic acids with alkyl halides using imidazolium based dicationic ionic liquids containing bis-trifluoromethane sulfonimide anions at room temperature

  摘要：

  将对称的N-甲基咪唑环与寡聚（乙二醇）链（阳离子部分）和双三氟甲磺酰亚胺（阴离子部分）相连的特定任务离子液体（Task-specific RTILs）合成，并确定其物理化学性质和催化活性。

  DOI：

  10.1039/c5ra00802f

文献信息

• Manganese-catalyzed direct C–C coupling of α-C–H bonds of amides and esters with alcohols <i>via</i> hydrogen autotransfer
  作者：Jagannath Rana、Virendrakumar Gupta、Ekambaram Balaraman

  DOI：10.1039/c8dt05020a

  日期：——

  Mn-catalyzed C-alkylation of amides and tert-butyl acetate using alcohols as alkylating agents is reported. This approach exhibits a broad substrate scope providing the C(α)-alkylated amides in good yields via hydrogen auto-transfer strategy.

  锰催化的酰胺和叔丁基醋酸酯的C-烷基化反应使用醇作为烷基化试剂。这种方法具有广泛的底物范围，通过氢自动转移策略提供良好产率的C(α)-烷基化酰胺。
• Electroreductive Acylation of Benzyl Chlorides with Acid Anhydrides. Stereoselective Formation of (<i>E</i>)-Enol Esters from Benzyl Alkyl Ketones
  作者：Ikuzo Nishiguchi、Tsuneo Oki、Tsuneaki Hirashima、Jiro Shiokawa

  DOI：10.1246/cl.1991.2005

  日期：1991.11

  Electroreduction of benzyl chlorides in the presence of acid anhydrides brought about stereoselective formation of (E)-enol esters of the corresponding benzyl alkyl ketones, the initial acylated products, in good to moderate yields.

  在酸酐的存在下，苄基氯的电还原导致相应苄基烷基酮的 (E)-烯醇酯的立体选择性形成，初始酰化产物，产率良好至中等。
• METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE
  申请人：Tomokawa Junichi

  公开号：US20130123505A1

  公开（公告）日：2013-05-16

  A carboxamide can be produced in a high yield by a method for producing a carboxamide, for example, represented by formula (4): (wherein R 1 and R 3 are as defined below), the method comprising a step of allowing a carboxylic acid ester represented by formula (1): (wherein R 1 represents an optionally substituented C 1 -C 20 hydrocarbon group or an optionally substituented C 3 -C 20 heterocyclic group, and R 2 represents an optionally substituented C 1 -C 20 hydrocarbon group), an amine represented by formula (2): R 3 —NH 2 (2) (wherein R 3 represents a hydrogen atom or an optionally substituented C 1 -C 20 hydrocarbon group), and a formamide compound represented by formula (3): (wherein R 3 is as defined above) to react in the presence of a metal alkoxide.

  通过一种生产羧酰胺的方法可以高产率生产羧酰胺，例如，如公式（4）所示的方法：（其中R1和R3如下定义），该方法包括允许由公式（1）表示的羧酸酯（其中R1表示可选取代的C1-C20烃基或可选取代的C3-C20杂环基，R2表示可选取代的C1-C20烃基），由公式（2）表示的胺：R3—NH2（2）（其中R3表示氢原子或可选取代的C1-C20烃基），以及由公式（3）表示的甲酰胺化合物（其中R3如上所定义）在金属烷氧化物存在下反应的步骤。
• Non-directed, carbonate-mediated C–H activation and aerobic C–H oxygenation with Cp*Ir catalysts
  作者：M. E. Kerr、I. Ahmed、A. Gunay、N. J. Venditto、F. Zhu、E. A. Ison、M. H. Emmert

  DOI：10.1039/c6dt00234j

  日期：——

  activity of Cp*Ir catalyst precursors in the C–H activation of arenes has been studied. Turnover numbers for C–H activation of up to 65 can thus be achieved, as determined by H/D exchange in MeOH-D4. In particular, carbonate additives are found to enhance the C–H activation reactivity of Cp*Ir(H2O)3(OTf)2 (1) more significantly than L-type ligands investigated in this study. Based on these studies, Cp*Ir/carbonate

  研究了氧化稳定的L和X型添加剂对芳烃C–H活化中Cp * Ir催化剂前体活性的影响。因此，通过在MeOH-D 4中进行H / D交换测定，可以实现C–H活化至65的周转数。特别是，发现碳酸盐添加剂比本研究中研究的L型配体更显着地增强Cp * Ir（H 2 O）3（OTf）2（1）的C–H活化反应性。基于这些研究，开发了Cp * Ir /碳酸盐系统，以空气为氧化剂，催化烷基芳烃的好氧C sp 3 -H氧化。
• ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION
  申请人：Yamamoto Yoshimi

  公开号：US20100076217A1

  公开（公告）日：2010-03-25

  An acyloxylation catalyst is obtained by loading (a) a first component containing at least one element of Groups 8, 9, 10 and 11 of the Periodic Table, (b) a second component containing an element which is at least one element of Groups 8, 9, 10 and 11 of the Periodic Table and which is different from the element of the first component, and (c) a third component containing an element which is a component that produces a precipitation-starting pH below the precipitation-starting pH of the first component and second component and which is different from the elements of the first component and second component, onto (d) a support. A catalyst is obtained that can be used to efficiently carry out acyloxylation for economical production of acyloxylated compounds.

  通过将(a)至少包含周期表第8、9、10和11组元素的第一组分、(b)含有周期表第8、9、10和11组中至少一种元素且与第一组分元素不同的第二组分、以及(c)含有一个产生沉淀起始pH低于第一组分和第二组分的沉淀起始pH的组分且与第一组分和第二组分元素不同的第三组分，负载到(d)载体上，可以获得酰氧化催化剂。获得的催化剂可用于高效地进行酰氧化反应，从而经济地生产酰氧基化合物。