ethyl-3-phenyl-1-benzenecarboximidate | 85681-41-0

• 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-3-phenyl-1-benzenecarboximidate
• 英文别名: ethyl biphenyl-3-carbimidate；Ethyl 3-phenylbenzenecarboximidate
• CAS: 85681-41-0
• 化学式: C₁₅H₁₅NO
• 分子量: 225.29
• InChiKey: CHRCKMYMCUPSNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl-3-phenyl-1-benzenecarboximidate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 吡啶 、 四氯化碳 、 乙醇 、 乙腈 为溶剂， 反应 192.0h， 生成 methyl 2-(3-biphenyl)-1H-5-imidazolecarboxylate
  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
• 作为产物：
  描述：

  3-苯基苯甲酸 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， 反应 48.0h， 生成 ethyl-3-phenyl-1-benzenecarboximidate
  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

• Direct C–H/C–H cross-coupling of benzimidates with heteroarenes to access biheteroaryl-2-carbonitriles
  作者：Zhigang Wang、Fei Wang、Zheng Liu、Shuang He、Xingwen Pu、Yudong Yang、Ge Gao

  DOI：10.1039/c9cc05314j

  日期：——

  A rhodium(iii)-catalyzed oxidative C–H/C–H cross-coupling of benzimidates with various heteroarenes has been devloped to directly furnish biheteroaryl-2-carbonitriles.

  铑（III）催化的氧化C-H/C-H交叉偶联反应，将苯并咪唑酯与各种杂环芳烃直接反应，形成双杂环芳基-2-碳腈基化合物。
• 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.
• OMODEI-SALE, A.;CONSONNI, P.;GALLIANI, G., J. MED. CHEM., 1983, 26, N 8, 1187-1192
  作者：OMODEI-SALE, A.、CONSONNI, P.、GALLIANI, G.

  DOI：——

  日期：——