2-[(Z)-1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-2-ethyl-prop-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione | 1361480-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-[(Z)-1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-2-ethyl-prop-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione
• 英文别名: 2-[(2Z)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-ylmethylidene)butylidene]-5,5-dimethylcyclohexane-1,3-dione
• CAS: 1361480-02-5
• 化学式: C₂₆H₃₃NO₄
• 分子量: 423.552
• InChiKey: CKMMDOSFGNGPOS-UYRXBGFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环己亚胺 、 胡椒醛 、 2-丁酰基双甲酮 以 甲苯 为溶剂， 生成 2-[(Z)-1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-2-ethyl-prop-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione 、 2-[(E)-1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-2-ethyl-prop-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione
  参考文献：
  名称：

  Condensation of 2-acylcyclohexane-1,3-diones with aromatic aldehydes

  摘要：

  Condensation of 2-propanoyl-, 2-butanoyl-, and 2-pentanoylcyclohexane-1,3-diones with aromatic aldehydes in the presence of secondary amines (diethylamine, pyrrolidine, morpholine, piperidine, and hexamethyleneimine) leads to the formation of the corresponding 2-[1-(dialkylamino)-2-alkyl-3-aryl-2-propylidene]cyclohexane-1,3-diones and derivatives of 4H-chromen-4,5(6H)-dione. A primary screening of some of the resulting enamino derivatives for fungicidal activity has been performed.

  DOI：

  10.1134/s1070363212010203

文献信息

• Condensation of 2-acylcyclohexane-1,3-diones with aromatic aldehydes
  作者：D. B. Rubinov、T. A. Zheldakova、R. A. Zheldakova、I. L. Rubinova、A. V. Baranovski、F. A. Lakhvich

  DOI：10.1134/s1070363212010203

  日期：2012.1

  Condensation of 2-propanoyl-, 2-butanoyl-, and 2-pentanoylcyclohexane-1,3-diones with aromatic aldehydes in the presence of secondary amines (diethylamine, pyrrolidine, morpholine, piperidine, and hexamethyleneimine) leads to the formation of the corresponding 2-[1-(dialkylamino)-2-alkyl-3-aryl-2-propylidene]cyclohexane-1,3-diones and derivatives of 4H-chromen-4,5(6H)-dione. A primary screening of some of the resulting enamino derivatives for fungicidal activity has been performed.