Heptachlorchinolin | 1084-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Heptachlorchinolin
• 英文别名: Heptachloroquinoline；2,3,4,5,6,7,8-heptachloroquinoline
• CAS: 1084-27-1
• 化学式: C₉Cl₇N
• 分子量: 370.277
• InChiKey: CMWSJLNFOVKWGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Heptachlorchinolin 在 cesium fluoride 作用下， 以 二甲基亚砜 为溶剂， 反应 96.0h， 生成 3,4,5,6,7,8-Heptachloro-2-fluoroquinoline 、 3,5,6,7,8-Heptachloro-2,4-difluoroquinoline 、 2,3,6,7,8-Heptachloro-4,5-difluoroquinoline 、 2,3,5,6,7,8-Heptachloro-4-fluoroquinoline
  参考文献：
  名称：

  19F NMR spectroscopy of polyhalonaphthalenes. Part IV. Halex reactions of polychloroquinolines

  摘要：

  Nucleophilic fluoride dechlorination of four starting materials (5,6,7,8-tetrachloro-, 3,5,6,7,8-pentachloro-, 4,7-dichloro-, 2,3,4,5,6,7,8-heptachloro-quinoline) led to the preparation of thirteen new polychloropolyfluoroquinolines via reaction with caesium fluoride in DMSO at 100 degrees C. The product from the perchloroquinoline was an inseparable mixture of C9Cl7-nFnN where n is 1-3. These products were studied in the NMR tube. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00225-5

文献信息

• Organic Cocrystal and Applications of the Same
  申请人：HU Wenping

  公开号：US20190355908A1

  公开（公告）日：2019-11-21

  The present disclosure relates inter alia to an organic cocrystal comprising at least three compounds A, B and C, and the method to prepare the said organic cocrystal, and organic electronic devices comprising the said organic cocrystal, and their application and use.
• 19F NMR spectroscopy of polyhalonaphthalenes. Part IV. Halex reactions of polychloroquinolines
  作者：Raymond S. Matthews

  DOI：10.1016/s0022-1139(98)00225-5

  日期：1998.9

  Nucleophilic fluoride dechlorination of four starting materials (5,6,7,8-tetrachloro-, 3,5,6,7,8-pentachloro-, 4,7-dichloro-, 2,3,4,5,6,7,8-heptachloro-quinoline) led to the preparation of thirteen new polychloropolyfluoroquinolines via reaction with caesium fluoride in DMSO at 100 degrees C. The product from the perchloroquinoline was an inseparable mixture of C9Cl7-nFnN where n is 1-3. These products were studied in the NMR tube. (C) 1998 Elsevier Science S.A. All rights reserved.