5,6,7,8-tetrahydro-3-methyl-7-phenylisoxazolo<4,5-b>azepin-5(4H)-one | 132869-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 5,6,7,8-tetrahydro-3-methyl-7-phenylisoxazolo<4,5-b>azepin-5(4H)-one
• 英文别名: 3-Methyl-7-phenyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
• CAS: 132869-27-3
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: QAYBVFGFZDFZBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 2-carbethoxy-4-(3-methyl-4-nitroisoxazol-5-yl)-3-phenylbutyrate 在 盐酸 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 27.0h， 生成 5,6,7,8-tetrahydro-3-methyl-7-phenylisoxazolo<4,5-b>azepin-5(4H)-one
  参考文献：
  名称：

  Modular syntheses of isoxazoloazepinones and pyrazoloazepinones

  摘要：

  Herein we described an optimised synthesis of isoxazoloazepi none and novel heterocycle pyrazoloazepinone. These syntheses are modular in nature and fast to execute. The title compounds were obtained pure without the intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.01.018

文献信息

• Baracchi, Antonella; Chimichi, Stefano; Sio, Francesco De, Heterocycles, 1990, vol. 31, # 10, p. 1823 - 1831
  作者：Baracchi, Antonella、Chimichi, Stefano、Sio, Francesco De、Donati, Donato、Polo, Cecilia、Sarti-Fantoni, Piero

  DOI：——

  日期：——
• BARACCHI, ANTONELLA;CHIMICHI, STEFANO;SIO, FRANCESCO DE;DONATI, DONATO;PO+, HETEROCYCLES, 31,(1990) N0, C. 1823-1831
  作者：BARACCHI, ANTONELLA、CHIMICHI, STEFANO、SIO, FRANCESCO DE、DONATI, DONATO、PO+

  DOI：——

  日期：——
• Modular syntheses of isoxazoloazepinones and pyrazoloazepinones
  作者：Mauro F.A. Adamo、Eleanor F. Duffy、Donato Donati、Piero Sarti-Fantoni

  DOI：10.1016/j.tet.2007.01.018

  日期：2007.3

  Herein we described an optimised synthesis of isoxazoloazepi none and novel heterocycle pyrazoloazepinone. These syntheses are modular in nature and fast to execute. The title compounds were obtained pure without the intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.