ethyl 2-methyl-1-phenyl-4-p-tolyl-1H-pyrrole-3-carboxylate | 1456593-30-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 2-methyl-1-phenyl-4-p-tolyl-1H-pyrrole-3-carboxylate
• 英文别名: ethyl 2-methyl-4-(4-methylphenyl)-1-phenyl-1H-pyrrole-3-carboxylate；Ethyl 2-methyl-4-(4-methylphenyl)-1-phenylpyrrole-3-carboxylate；ethyl 2-methyl-4-(4-methylphenyl)-1-phenylpyrrole-3-carboxylate
• CAS: 1456593-30-8
• 化学式: C₂₁H₂₁NO₂
• 分子量: 319.403
• InChiKey: TUMNVHPKZQOCEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-methyl-β-nitrostyrene 、 乙酰乙酸乙酯 、 苯胺 在 Oxone 、 碘苯 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以78%的产率得到ethyl 2-methyl-1-phenyl-4-p-tolyl-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  Efficient, Three-Component Synthesis of Pyrrole Derivatives Catalyzed by Iodobenzene and Oxone

  摘要：

  A simple and highly efficient three-component method using easily available amines, nitrostyrene, and diketones in one pot has been developed for synthesis of pyrroles in the presence of catalytic amounts of iodobenzene and Oxone as oxidant. The protocol has been used to afford wide range of pyrroles in moderate to good yields.

  DOI：

  10.1080/00397911.2015.1066392

文献信息

• New magnetic-responsive deep eutectic catalyst based on Co2+/choline chloride for the synthesis of tetrahydro-pyrazolopyridines and pyrroles in water
  作者：Fatemeh Tamaddon、Ali Khorram

  DOI：10.1016/j.molliq.2020.112722

  日期：2020.4

  CoCl42− which provides magnetically recovering of Co4ChDES in cooperation with the four choline groups are hydrogen bond-acceptor and hydrogen bond-donor components of this DES. The 0.75 mol% and 1.5 mol% of Co4ChDES represented high catalytic performance in the water-based multi-component reactions (MCRs) for the synthesis of substituted tetrahydropyrazolopyridines (THDPPs) and pyrroles under very mild conditions

  通过筛选CoCl 2 ·6H 2 O和氯化胆碱（ChCl）的固液平衡混合物中不同摩尔比的组分，检测出一种新的磁响应深共晶（MDE），然后进行真空蒸发。在这些络合物中，蓝色络合物2ChCl·2Ch +：CoCl 4 2-（Co4ChDES），以1：4摩尔比的CoCl 2给出：ChCl表现出mp以及顺磁性的下降非常深。通过mp，UV-vis和FT-IR对所有络合物进行了比较，同时通过能量色散X射线光谱（EDX），振动样品磁强（VSM）和EDS作图对Co4ChDES进行了精细分析。Co4ChDES的正磁响应，表面元素分析和典型的UV-vis吸收波长证实了该DES结构中存在磁性四面体抗衡离子CoCl 4 2-。阴离子络合物CoCl 4 2-与四个胆碱基团一起提供Co4ChDES的磁性回收的是该DES的氢键受体和氢键供体组分。0.75 mol％和1.5 mol％的Co4ChDES在非常温和的条件下，
• Modular CeCl3·7H2O-catalyzed multi-component synthesis of 1,2,3,4-tetrasubstituted pyrroles under microwave irradiation and their further trichloroisocyanuric acid-mediated conversion into 5-sulfenylpyrrole derivatives
  作者：Claudio C. Silveira、Samuel R. Mendes、Guilherme M. Martins、Sheila C. Schlösser、Teodoro S. Kaufman

  DOI：10.1016/j.tet.2013.08.035

  日期：2013.10

  A modular, multicomponent synthesis of 1,2,3,4-tetrasubstituted pyrroles promoted by the inexpensive CeCl3 center dot 7H(2)O, is reported. The reaction was carried out under microwave irradiation, affording good yields of products in short time. Scope and limitations were explored and a plausible reaction mechanism is discussed. The resulting heterocycles were smoothly and efficiently converted into their corresponding 5-arylsulfenyl derivatives by reaction with diaryl disulfides and trichloroisocyanuric acid in EtOAc. (C) 2013 Elsevier Ltd. All rights reserved.