(R)-ethyl 1-(3-chlorophenyl)-5-oxo-1,5,6,7-tetrahydropyrazolo[1,2-a]pyrazole-2-carboxylate | 1393596-92-3

• 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: (R)-ethyl 1-(3-chlorophenyl)-5-oxo-1,5,6,7-tetrahydropyrazolo[1,2-a]pyrazole-2-carboxylate
• 英文别名: ethyl (7R)-7-(3-chlorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
• CAS: 1393596-92-3
• 化学式: C₁₅H₁₅ClN₂O₃
• 分子量: 306.749
• InChiKey: MMDPBYQKGWXYRS-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(3-chlorobenzylidene)-5-oxopyrazolidin-2-ium-1-ide 、 丙炔酸乙酯 在 2,6-bis((2S,4S)-4-methyl-5,5-diphenyloxazolidin-2-yl)pyridine 、 copper diacetate 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 以72%的产率得到(R)-ethyl 1-(3-chlorophenyl)-5-oxo-1,5,6,7-tetrahydropyrazolo[1,2-a]pyrazole-2-carboxylate
  参考文献：
  名称：

  量身定制的双（恶唑烷）吡啶金属催化剂的开发，用于偶氮甲亚胺与丙酸酯的[3 + 2]环加成反应。

  摘要：

  新设计并合成了一系列双（恶唑烷）吡啶配体（PyBodines），用于开发高效的，量身定制的催化剂，用于偶氮甲亚胺与丙酸酯的[3 + 2]环加成反应。在固相催化/ CD-HTS的基础上选择了PyBodine（1-Ala）-Cu（OAc）2催化剂，并显示出很高的效率，从而生产出具有优异对映选择性的（R）加合物。

  DOI：

  10.1039/c3cc44354j

文献信息

• Chiral Bis(Imidazolidine)Pyridine-Cu Complex-Catalyzed Enantioselective [3+2]-Cycloaddition of Azomethine Imines with Propiolates
  作者：Takayoshi Arai、Yuta Ogino

  DOI：10.3390/molecules17056170

  日期：——

  [3+2] Cycloaddition of azomethine imines with electron-deficient terminal alkynes was smoothly catalyzed by a chiral bis(imidazolidine)pyridine-CuOAc complex to give bicyclic pyrazolo[1,2-a]pyrazolone derivatives with up to 74% ee.

  双（咪唑烷）吡啶-CuOAc 手性配合物顺利催化了偶氮甲基亚胺与缺电子末端炔的 [3+2] 环加成反应，得到了双环吡唑并[1,2-a]吡唑酮衍生物，ee 值高达 74%。
• NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY

  公开号：US20170368015A1

  公开（公告）日：2017-12-28

  An object of the invention is to provide a compound that can be utilized as an antiviral agent, in particular as an anti-RNA viral agent, and especially as an anti-RS viral agent. The invention provides a compound indicated by Formula (1), wherein R1 each independently represent hydrogen, halogen, hydroxyl, amino, carboxyl, C1-C6 alkyl, C1-C6 alkoxyl, C1-C6 halogenoalkyl, C1-C6 alkoxycarbonyl, C1-C6 alkylamino, C2-C5 alkenyl, C3-C6 cycloalkyl, or optionally substituted aryl; R2 each independently represent hydrogen, C1-C6 alkyl, C1-C6 halogenoalkyl, C2-C5 alkenyl, C3-C6 cycloalkyl, optionally substituted aryl or heterocyclic group; and one or more R1 may be present in the same ring, an isomer thereof, a pharmaceutically acceptable salt thereof, or a mixture of these. The compounds provided by the invention are useful as drugs for the prevention or treatment of infectious diseases by virus, especially RS virus, and in particular infectious diseases in the lower airways (e.g., bronchiolitis, pneumonia, etc.).