ethyl 2-(2,5-dimethylphenyl)acetate | 58358-37-5

• 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: ethyl 2-(2,5-dimethylphenyl)acetate
• 英文别名: Ethyl 2,5-dimethylphenylacetate
• CAS: 58358-37-5
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: SEPLBXVOJXOUKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2,5-dimethylphenyl)acetate 在 乙醇 、 sodium 作用下， 生成 2,5-二甲基苯乙醇
  参考文献：
  名称：

  Differential Transfer Benefits of Increased Practice for Constant, Blocked, and Serial Practice Schedules

  摘要：

  The effects of practice schedule and amount of practice on the development of the generalized motor program (GMP) and on parameter estimation were investigated. Participants (N = 108) practiced the same relative timing but different absolute durations of a multisegment timing task. Practice schedules (constant, blocked, or serial) were crossed with amounts of practice (low and high). Inclusion of a constant practice condition allowed the authors to investigate the variability of practice prediction. Participants practiced the same proportional durations in a serial or a blocked schedule, which enabled the authors to examine contextual interference. A constant practice schedule enhanced GMP performance when task parameters remained the same, but varied practice schedules were beneficial when task parameters changed. A serial as opposed to a blocked practice schedule was superior when the performance of a task governed by a different GMP was required. Increased practice led to a consolidated task representation that was unavailable for updating.

  DOI：

  10.1080/00222890209601953
• 作为产物：
  描述：

  2,5-二甲基苯甲酸 在 氯化亚砜 作用下， 生成 ethyl 2-(2,5-dimethylphenyl)acetate
  参考文献：
  名称：

  van Zanten,B.; Nauta,W., Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

  摘要：

  DOI：

文献信息

• Aromatic Claisen Rearrangements of Benzyl Ketene Acetals: Conversion of Benzylic Alcohols to ( <i>ortho</i> ‐Tolyl)acetates
  作者：Jed M. Burns、Elizabeth H. Krenske、Ross P. McGeary

  DOI：10.1002/ejoc.201601354

  日期：2017.1.10

  Claisen rearrangements of benzyl vinyl ethers are much less facile than those of aliphatic allyl vinyl ethers, and their synthetic utility has remained relatively unexplored. A one-pot procedure is reported for the generation and Claisen rearrangement of benzyl vinyl ethers that contain an activating α-alkoxy substituent on the vinyl group. A [3,3]-sigmatropic mechanism was supported by trapping of the

  苄基乙烯基醚的克莱森重排远不如脂肪族烯丙基乙烯基醚的克莱森重排容易，并且它们的合成效用仍然相对未开发。据报道，一锅法用于生成和克莱森重排苄基乙烯基醚，在乙烯基上含有活化的 α-烷氧基取代基。通过在分子内 Alder-ene 反应中捕获中间体异甲苯来支持 [3,3]-σ 机制。
• Iron and Manganese Catalysts for the Selective Functionalization of Arene C(sp² )−H Bonds by Carbene Insertion
  作者：Ana Conde、Gerard Sabenya、Mònica Rodríguez、Verònica Postils、Josep M. Luis、M. Mar Díaz-Requejo、Miquel Costas、Pedro J. Pérez

  DOI：10.1002/anie.201601750

  日期：2016.5.23

  (N2CHCO2Et) catalyzed by Mn‐ or Fe‐based complexes in a completely selective manner are reported, with no formation of the frequently observed cycloheptatriene derivatives through competing Buchner reaction. The best catalysts are FeII or MnII complexes bearing the tetradentate pytacn ligand (pytacn= 1‐(2‐pyridylmethyl)‐4,7‐dimethyl‐1,4,7‐triazacyclononane). When using alkylbenzenes, the alkylic C(sp3)−H

  据报道，第一个例子是通过基于锰或铁的络合物以完全选择性的方式催化重氮乙酸乙酯（N 2 CHCO 2 Et）直接活化未活化的芳基sp 2 C-H键。经常通过竞争性布赫纳反应观察到的环庚三烯衍生物。最好的催化剂是带有四齿吡喃配位体的Fe II或Mn II配合物（pytacn = 1-（2-吡啶基甲基）-4,7-二甲基-1,4,7-三氮杂环壬烷）。当使用烷基苯时，取代基的烷基C（sp 3）-H键保持未改性，因此该反应对sp 2 C-H键的官能化也是选择性的。
• Synthesis of Arylacetates from Benzylic Alcohols and Oxalate Esters through Decarboxylative Coupling
  作者：Matthias F. Grünberg、Lukas J. Gooßen

  DOI：10.1002/chem.201301033

  日期：2013.6.3

  Follow that dream: By combining a reversible transesterification between benzylic alcohols and dialkyl oxalates with catalytic decarboxylation of the resulting esters, a regiospecific CC‐bond‐forming reaction to give α‐arylacetates was achieved. In the overall process, CO2 and a volatile alcohol are the only byproducts. Various α‐arylacetates were thus synthesized in high yields from easily accessible

  遵循这个梦想：通过与所得到的酯的催化脱羧，一个区域专一Ç苄醇和草酸二烷基酯之间的酯交换反应的可逆结合 C-键形成反应，实现以得到α-arylacetates。在整个过程中，CO 2和挥发性醇是唯一的副产物。因此，在催化量的Pd（OAc）2，dppp和DABCO的存在下，由易于获得的起始原料以高收率合成了各种α-芳基乙酸酯（参见方案）。
• Amino acid derivatives and their use as thrombin inhibitors
  申请人：AstraZeneca AB

  公开号：US06255301B1

  公开（公告）日：2001-07-03

  There is provided compounds of formula I, wherein R1, R2, R3, Rx, Y, n and B have meanings given in the description which are useful as competitive inhibitors of trypsin-like proteases, such as thrombin, and in particular in the treatment of conditions where inhibition of thrombin is required as in thrombosis or as anticoagulants.

  提供了式I的化合物，其中R1、R2、R3、Rx、Y、n和B具有描述中给出的含义，这些化合物可作为类胰蛋白酶竞争性抑制剂，如凝血酶，特别适用于需要抑制凝血酶的情况，如血栓形成或抗凝剂治疗。
• 1,3-双(2,5-二甲基苯基)丙-2-酮的合成方法及其应用
  申请人：河北科技大学

  公开号：CN109928868A

  公开（公告）日：2019-06-25

  本发明公开了一种1,3‑双(2,5‑二甲基苯基)丙‑2‑酮的合成方法，是以2,5‑二甲基苯乙酸为原料，经酰化、乙酯化反应得到中间体2,5‑二甲基苯乙酸乙酯，再在碱性催化剂下，经过缩合、水解、脱羧反应合成目标产物1,3‑双(2,5‑二甲基苯基)丙‑2‑酮；本发明还公开了1,3‑双(2,5‑二甲基苯基)丙‑2‑酮的一种应用，它可以作为标准品，用于检测和监控农药螺虫乙酯中间体的合成。本发明所提供的合成方法操作简单，过程易于控制，所得1,3‑双(2,5‑二甲基苯基)丙‑2‑酮的收率为56.5%。