3-Ethyl-1-oxa-4-azaspiro[4.4]nonane | 1378809-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-Ethyl-1-oxa-4-azaspiro[4.4]nonane
• 英文别名: 3-ethyl-1-oxa-4-azaspiro[4.4]nonane
• CAS: 1378809-34-7
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: IDHMEQJTRQAVLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Ethyl-1-oxa-4-azaspiro[4.4]nonane 、 对甲基苯磺酰异氰酸酯 以 苯 为溶剂， 以90%的产率得到3-ethyl-N-[(p-methylphenyl)sulfonyl]-1-oxa-4-aza-spiro[4.5]decane-4-carboxamide
  参考文献：
  名称：

  Design, Synthesis And Biological Activity Of Novel Sulfonylurea Oxazolidines

  摘要：

  A series of N-[(p-methylphenyl)sulfonyl]-1,3-oxazolidine-3-carboxamide 4 was synthesized by cycloaddition and acylation reaction with alkamine, ketones, and p-methylbenzenesulfonyl isocyanate as the starting materials. The structures of all the compounds were characterized by IR, H-1 NMR, C-13 NMR, MS, and elemental analysis. The configuration of 4d was determined by X-ray crystallography. The preliminary biological test showed that all compounds could protect maize against injury caused by chlorsulfuron to certain extent. The sulfonylurea oxazolidines were possible acted as antagonists of sulfonylureas herbicides at target enzyme pocket site by docking analysis.

  DOI：

  10.3987/com-16-13412
• 作为产物：
  描述：

  2-氨基-1-丁醇 、 环戊酮 反应 5.0h， 生成 3-Ethyl-1-oxa-4-azaspiro[4.4]nonane
  参考文献：
  名称：

  Design, Synthesis And Biological Activity Of Novel Sulfonylurea Oxazolidines

  摘要：

  A series of N-[(p-methylphenyl)sulfonyl]-1,3-oxazolidine-3-carboxamide 4 was synthesized by cycloaddition and acylation reaction with alkamine, ketones, and p-methylbenzenesulfonyl isocyanate as the starting materials. The structures of all the compounds were characterized by IR, H-1 NMR, C-13 NMR, MS, and elemental analysis. The configuration of 4d was determined by X-ray crystallography. The preliminary biological test showed that all compounds could protect maize against injury caused by chlorsulfuron to certain extent. The sulfonylurea oxazolidines were possible acted as antagonists of sulfonylureas herbicides at target enzyme pocket site by docking analysis.

  DOI：

  10.3987/com-16-13412

文献信息

• A convenient synthesis of novel<i>N</i>-dichloroacetyl-1,3-oxazolidine
  作者：Fei Ye、Lei Yang、Haitao Li、Ying Fu、Weijun Xu

  DOI：10.1002/jhet.289

  日期：——

  Abstract magnified imageA short and efficient route of synthesis and structural characterization of a series of novel N‐dichloroacetyl‐1,3‐oxazolidine derivatives has been developed. These new compounds characterized of the disubstitution at position 2 by alkyl, cycloalkane, and phenyl were synthesized in good yields via a sequential procedure involving condensation and acylation. All the compounds are characterized by IR, 1H NMR, 13C NMR, and element analysis. J. Heterocyclic Chem., (2010).
• [EN] AMIDO ANTI-VIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTI-VIRAUX AMIDO
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009143361A1

  公开（公告）日：2009-11-26

  Disclosed are compounds, stereoisomers, tautomers, pharmaceutically acceptable salts, or prodrugs thereof, their preparation, use, and compositions thereof for treating an infection mediated at least in part by a virus in the Flaviviridae family of viruses.
• Design, Synthesis And Biological Activity Of Novel Sulfonylurea Oxazolidines
  作者：Fei Ye、Ying Fu、Jing-Xin Kang、Yun-Kai Wang、Jing Liu、Li-Xia Zhao、Shuang Gao

  DOI：10.3987/com-16-13412

  日期：——

  A series of N-[(p-methylphenyl)sulfonyl]-1,3-oxazolidine-3-carboxamide 4 was synthesized by cycloaddition and acylation reaction with alkamine, ketones, and p-methylbenzenesulfonyl isocyanate as the starting materials. The structures of all the compounds were characterized by IR, H-1 NMR, C-13 NMR, MS, and elemental analysis. The configuration of 4d was determined by X-ray crystallography. The preliminary biological test showed that all compounds could protect maize against injury caused by chlorsulfuron to certain extent. The sulfonylurea oxazolidines were possible acted as antagonists of sulfonylureas herbicides at target enzyme pocket site by docking analysis.