2-(4-methyl-2-phenyl-4-cyclohexen-1-yl)[1,3,4]oxadiazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-methyl-2-phenyl-4-cyclohexen-1-yl)[1,3,4]oxadiazole
• 英文别名: 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole
• 化学式: C₁₅H₁₆N₂O
• 分子量: 240.305
• InChiKey: VIKNDKYETVCODL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  靛红酸酐 、 1-Hydrazinocarbonyl-4-methyl-6-phenyl-cyclohex-3-enecarboxylic acid 在 原甲酸三乙酯 作用下， 反应 5.0h， 以48%的产率得到2-(4-methyl-2-phenyl-4-cyclohexen-1-yl)[1,3,4]oxadiazole
  参考文献：
  名称：

  Synthesis and stereochemical structure of derivatives of 2-substituted 3-cyclohexenylamidoquinazolin-4-ones obtained from N′-cyclohexenecarbonyl-substituted hydrazides of 2-aminobenzoic acid and certain orthoesters

  摘要：

  In the reaction of N'-cyclohexenecarbonyl-substituted hydrazides of 2-aminobenzoic acid with the trialkyl esters of formic, acetic, valeric, and benzoic acids at room temperature 3-cyclohexenylamidoquinazolin-4-ones with the respective substituent at the C-2 atom of the quinazoline ring were obtained. The spatial structure of the obtained compounds was studied by homonuclear and heteronuclear NMR.

  DOI：

  10.1007/s10593-008-0104-7

文献信息

• Synthesis of Derivatives of 1,3,4-Oxadiazoles Based on Monohydrazides of 2-Aryl-4-methyl-4-cyclohexen-1,2-dicarboxylic Acids
  作者：D. Zicane、Z. Tetere、I. Ravina、M. Petrova

  DOI：10.1023/b:cohc.0000044575.37674.6e

  日期：2004.7
• Synthesis and stereochemical structure of derivatives of 2-substituted 3-cyclohexenylamidoquinazolin-4-ones obtained from N′-cyclohexenecarbonyl-substituted hydrazides of 2-aminobenzoic acid and certain orthoesters
  作者：D. Zicane、I. Raviņa、Z. Tetere、M. Petrova、E. Liepinsh

  DOI：10.1007/s10593-008-0104-7

  日期：2008.6

  In the reaction of N'-cyclohexenecarbonyl-substituted hydrazides of 2-aminobenzoic acid with the trialkyl esters of formic, acetic, valeric, and benzoic acids at room temperature 3-cyclohexenylamidoquinazolin-4-ones with the respective substituent at the C-2 atom of the quinazoline ring were obtained. The spatial structure of the obtained compounds was studied by homonuclear and heteronuclear NMR.