6'-amino-3'-methyl-2'H-spiro[cycloheptane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile | 1426156-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6'-amino-3'-methyl-2'H-spiro[cycloheptane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
• 英文别名: 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cycloheptane]-5-carbonitrile
• CAS: 1426156-31-1；401578-28-7
• 化学式: C₁₄H₁₈N₄O
• 分子量: 258.323
• InChiKey: GSRDSXCPXRPIGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 丙二腈 、 环庚酮 在 lipase from Aspergillus niger 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以73%的产率得到6'-amino-3'-methyl-2'H-spiro[cycloheptane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
  参考文献：
  名称：

  Multicomponent synthesis of dihydropyrano[2,3-c]pyrazoles catalyzed by lipase from Aspergillus niger

  摘要：

  Lipase from Aspergillus niger (ANL) was found to be an extremely effective catalyst for four-component synthesis of dihydropyrano[2,3-c]pyrazoles from a stoichiometric mixture of ethyl acetoacetate, hydrazine hydrate, aldehyde/ketone, and malononitrile in ethanol. The lipase ANL showed a broad range of enzymatic promiscuity toward various aromatic and aliphatic aldehydes as well as ketones. Use of environmentally benign biocatalyst, reusability of the catalyst, room temperature reaction conditions, no hazardous solvent, and excellent yields are some of the important features of this protocol. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2013.03.015