9-(4-Pyridyl)-1,2,3,4,5,6,7,8-octahydroxanthen-dion-(1,8) | 101734-40-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-(4-Pyridyl)-1,2,3,4,5,6,7,8-octahydroxanthen-dion-(1,8)
• 英文别名: 9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione；9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
• CAS: 101734-40-1
• 化学式: C₁₈H₁₇NO₃
• 分子量: 295.338
• InChiKey: WRBLFSLCYDHOFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 9-(4-Pyridyl)-1,2,3,4,5,6,7,8-octahydroxanthen-dion-(1,8)
  参考文献：
  名称：

  CHLOROSULFONATION OF 9-ARYLOCTAHYDROXANTHEN-1,8-DIONES

  摘要：

  The 9-aryloctathydroxanthen-1,8-diones (3, 4-24) were prepared by reaction of cyclohexan-1,3-dione (1) with selected arylaldehydes. The xanthendiones (4-9, 11, 12, 18, 21, 22) were successfully reacted with chlorosulfonic acid, and the crude sulfonyl chlorides were converted into 15 sulfonamides (26-40) for screening as potential pesticides. Attempted chlorosulfonation of the xanthendiones (13-17) was unsuccessful. alpha-Methylcinnamaldehyde was reacted with cyclohexandione (1) to yield the corresponding xanthendione derivative (23). On the other hand, with o-methoxycinnamaldehyde an impure product formed and the p-methoxy isomer afforded the corresponding 2-arylpyran (25). The NMR spectral data of the compounds are briefly discussed.

  DOI：

  10.1080/10426500490494741

文献信息

• Hellmann,H.; Schroeder,M., Justus Liebigs Annalen der Chemie, 1961, vol. 641, p. 78 - 81
  作者：Hellmann,H.、Schroeder,M.

  DOI：——

  日期：——
• CHLOROSULFONATION OF 9-ARYLOCTAHYDROXANTHEN-1,8-DIONES
  作者：Richard J. Cremlyn、Ghulam Shabbir

  DOI：10.1080/10426500490494741

  日期：2004.12.1

  The 9-aryloctathydroxanthen-1,8-diones (3, 4-24) were prepared by reaction of cyclohexan-1,3-dione (1) with selected arylaldehydes. The xanthendiones (4-9, 11, 12, 18, 21, 22) were successfully reacted with chlorosulfonic acid, and the crude sulfonyl chlorides were converted into 15 sulfonamides (26-40) for screening as potential pesticides. Attempted chlorosulfonation of the xanthendiones (13-17) was unsuccessful. alpha-Methylcinnamaldehyde was reacted with cyclohexandione (1) to yield the corresponding xanthendione derivative (23). On the other hand, with o-methoxycinnamaldehyde an impure product formed and the p-methoxy isomer afforded the corresponding 2-arylpyran (25). The NMR spectral data of the compounds are briefly discussed.