Oxim von 2-Cyan-cyclopentanon | 42009-81-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Oxim von 2-Cyan-cyclopentanon
• 英文别名: 2-Cyan-cyclopentanon-oxim；2-hydroxyiminocyclopentane-1-carbonitrile
• CAS: 42009-81-4
• 化学式: C₆H₈N₂O
• 分子量: 124.142
• InChiKey: UONNWVSPGODRMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Oxim von 2-Cyan-cyclopentanon 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 以80%的产率得到5,6-二氢-4H-环戊二烯并[C]异噁唑-3-胺
  参考文献：
  名称：

  A new bactericidal lead structure for the protection of materials

  摘要：

  Our search for a new broad spectrum bactericide for preserving materials lead to the discovery of a highly active bicyclic amine (1) and a number of derivatives. The synthesis and biological evaluation as well as a first toxicological assessment of these compounds are described. Compound I shows strong bactericidal activity down to levels of below 100 ppm but unfortunately increases the number of mutations in Ames tests. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.036
• 作为产物：
  描述：

  1-氨基-2-氰基-1-环戊烯 在 羟胺 作用下， 以 乙醇 为溶剂， 以20%的产率得到Oxim von 2-Cyan-cyclopentanon
  参考文献：
  名称：

  A new bactericidal lead structure for the protection of materials

  摘要：

  Our search for a new broad spectrum bactericide for preserving materials lead to the discovery of a highly active bicyclic amine (1) and a number of derivatives. The synthesis and biological evaluation as well as a first toxicological assessment of these compounds are described. Compound I shows strong bactericidal activity down to levels of below 100 ppm but unfortunately increases the number of mutations in Ames tests. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.036