dimethoxy-3,4 benzimidate d'ethyle | 13602-18-1

• 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: dimethoxy-3,4 benzimidate d'ethyle
• 英文别名: ethyl 3, 4-dimethoxybenzimidate；3.4-Dimethoxy-benzoesaeure-aethylester-imid；3,4-dimethoxy-benzimidic acid ethyl ester；3,4-Dimethoxy-benzimidsaeure-aethylester；Veratrimidsaeure-aethylester；Ethyl 3,4-dimethoxybenzenecarboximidate
• CAS: 13602-18-1
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: QZXLXXHGCGBMFL-UHFFFAOYSA-N

物化性质

• 熔点：
  142-143 °C
• 沸点：
  115 °C(Press: 0.1 Torr)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethoxy-3,4 benzimidate d'ethyle 在 氨 作用下， 生成 3,4-二甲氧基苄脒
  参考文献：
  名称：

  Genetic diversity in Taro (Colocasia esculenta Schott, Araceae) in China: An ethnobotanical and genetic approach

  摘要：

  DOI：

  10.1007/bf02864543
• 作为产物：
  描述：

  3,4-二甲氧基苄腈 、 乙醇 在 乙酰氯 作用下， 以 乙醇 为溶剂， 反应 30.0h， 生成 dimethoxy-3,4 benzimidate d'ethyle
  参考文献：
  名称：

  [EN] COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS ET UTILISATIONS DE CES DERNIERS

  摘要：

  本发明涉及对神经系统疾病治疗中有用的化合物。本发明的化合物，单独或与其他药用活性剂结合，可用于治疗或预防神经系统疾病。

  公开号：

  WO2018081167A1

文献信息

• Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds
  作者：Xing Guang Li、Min Sun、Qiao Jin、Kai Liu、Pei Nian Liu

  DOI：10.1021/acs.joc.6b00264

  日期：2016.5.6

  A Rh(III)-catalyzed coupling/cyclization cascade reaction is described, which involves arylimidates and diazo compounds and proceeds via intermolecular C–C bond formation and subsequent intramolecular C–N bond formation. Mechanistic investigation revealed that the reaction is a two-step process: the initial Rh(III)-catalyzed coupling/cyclization proceeds very fast and the following dehydration is rather

  描述了一种Rh（III）催化的偶联/环化级联反应，该反应涉及芳基亚氨酸酯和重氮化合物，并通过分子间C–C键形成和随后的分子内C–N键形成进行。机理研究表明，该反应是一个两步过程：最初的Rh（III）催化的偶合/环化反应进行得非常快，而随后的脱水反应则相当缓慢。该反应为没有任何氧化剂的异喹啉和异喹啉-3-醇提供了直接的途径。
• A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles
  作者：Amedeo Omodei-Sale、Pietro Consonni、Giulio Galliani

  DOI：10.1021/jm00362a018

  日期：1983.8

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.
• Anti-arythmiques apparentés au procaïnamide II. Synthèse et étude pharmacologique
  作者：P Reynaud

  DOI：10.1016/0223-5234(89)90088-3

  日期：1989.8
• Synthesis of Isothiazoles and Isoselenazoles through Rhodium-Catalyzed Oxidative Annulation with Elemental Sulfur and Selenium
  作者：Sanghun Moon、Yuji Nishii、Masahiro Miura

  DOI：10.1021/acs.orglett.0c03674

  日期：2021.1.1

  A rhodium-catalyzed oxidative annulation of benzimidates with elemental sulfur for the direct construction of isothiazole rings is reported. The proposed reaction mechanism involving Rh(I)/Rh(III) redox is supported by a stoichiometric reaction of metallacycle species as well as DFT calculations. This method is also applicable to selenium cyclization to produce isoselenazole derivatives. The alkoxy substituent at C3 can be used for further functionalization of the azole core.
• Oxidative Alkenylation/Annulation of Benzimidates<i>via</i>Ruthenium(II)-Catalyzed CH Activation to Generate 3-Methyleneisoindolin-1-ones
  作者：Xing Guang Li、Min Sun、Kai Liu、Pei Nian Liu

  DOI：10.1002/adsc.201400727

  日期：2015.2.9

  AbstractA novel ruthenium‐catalyzed oxidative alkenylation/annulation cascade reaction is described for synthesizing 3‐methyleneisoindolin‐1‐ones. In the protocol, the NH imidate is applied efficiently as a directing group in ruthenium‐catalyzed CH activation, generating various 3‐methyleneisoindolin‐1‐ones with high regio‐ and stereoselectivity in moderate to good yields.magnified image