ethyl-1-naphthalenecarboximidate | 46389-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl-1-naphthalenecarboximidate
• 英文别名: Ethyl naphthalene-1-carboximidate
• CAS: 46389-16-6
• 化学式: C₁₃H₁₃NO
• 分子量: 199.252
• InChiKey: CNMSNQSPVRKIFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  ethyl-1-naphthalenecarboximidate 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 tris(acetonitrile)(η5-pentamethylcyclopentadienyl)rhodium(III) hexafluoroantimonate 、 silver(I) acetate 作用下， 反应 23.0h， 以52%的产率得到3-ethoxynaphtho-2,1-isothiazole
  参考文献：
  名称：

  Synthesis of Isothiazoles and Isoselenazoles through Rhodium-Catalyzed Oxidative Annulation with Elemental Sulfur and Selenium

  摘要：

  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.

  DOI：

  10.1021/acs.orglett.0c03674
• 作为产物：
  描述：

  1-萘甲酸 在 吡啶 、 碳酸氢铵 、 二碳酸二叔丁酯 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 ethyl-1-naphthalenecarboximidate
  参考文献：
  名称：

  Expeditious Synthesis of 2-Aryl Substituted Imidazolines and Imidazoles

  摘要：

  A versatile and efficient method for the synthesis of 2-aryl substituted imidazolines and imidazoles bearing a carboxylate group on C-4 is reported. Three different synthetic pathways were explored, compared and optimized. The selected procedure involves condensation of methyl 2,3-diaminopropionate with different imino ethers. The ring closure, monitored by LC-MS analysis, was facilitated by heating at reflux in ethanol leading to increase the rate of cyclization.

  DOI：

  10.3987/com-06-10708

文献信息

• ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND
  申请人：LG Display Co., Ltd.

  公开号：EP3988556A1

  公开（公告）日：2022-04-27

  The present disclosure relates to an organic metal compound having the following structure of Formula 1, an organic light emitting diode (OLED) (D, D1, D2) and an organic light emitting device that includes the organic metal compound. The OLED (D, D1, D2) and the organic light emitting device including the organic metal compound can improve their luminous efficiency, luminous color purity and lifespan.

  本公开涉及一种具有如下式 1 结构的有机金属化合物、一种有机发光二极管（OLED）（D、D1、D2）和一种包括该有机金属化合物的有机发光器件。该有机发光二极管（D、D1、D2）和包括该有机金属化合物的有机发光器件可提高其发光效率、光色纯度和寿命。