2-ethyl-8-methyl-2,8-diaza-spiro[4.5]decan-1-one | 64097-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2-ethyl-8-methyl-2,8-diaza-spiro[4.5]decan-1-one
• 英文别名: 2-Ethyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one
• CAS: 64097-76-3
• 化学式: C₁₁H₂₀N₂O
• 分子量: 196.293
• InChiKey: XQIWJZFDODXKJD-UHFFFAOYSA-N

物化性质

• 沸点：
  321.3±35.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-乙基-8-甲基-2,8-二氮杂螺[4.5]-1,3-癸二酮 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以65%的产率得到2-ethyl-8-methyl-2,8-diaza-spiro[4.5]decan-1-one
  参考文献：
  名称：

  Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists

  摘要：

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.

  DOI：

  10.1016/0223-5234(94)90195-3

文献信息

• CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT
  申请人：Nippon Soda Co., Ltd.

  公开号：US20200163336A1

  公开（公告）日：2020-05-28

  A pest control agent according to the present invention contains a compound of formula (I) (in the formula, Ar represents a substituted or unsubstituted C6-10 aryl group, R 1 represents a cyano group or a substituted or unsubstituted thiocarbamoyl group, R 2 represents a hydrogen atom, a halogeno group, a substituted or unsubstituted C1-6 alkyl group, a hydroxyl group, or a substituted or unsubstituted C1-6 alkoxy group, R 3 represents a hydrogen atom, a halogeno group, a substituted or unsubstituted C1-6 alkyl group, or the like, and Q represents a cyclic amino group) or a salt thereof.

  根据本发明，一种害虫控制剂包含化合物的公式（I）（在该式中，Ar代表取代或未取代的C6-10芳基，R1代表氰基或取代或未取代的硫代氨基基团，R2代表氢原子、卤素基团、取代或未取代的C1-6烷基基团、羟基或取代或未取代的C1-6烷氧基团，R3代表氢原子、卤素基团、取代或未取代的C1-6烷基基团等，Q代表环氨基基团）或其盐。
• Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists
  作者：G Cignarella、S Villa、F Cattabeni、F Renò、M Cimino、PG De Benedetti、D Barlocco

  DOI：10.1016/0223-5234(94)90195-3

  日期：1994.1

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.