7-bromo-4-dimethylaminoquinoline | 1496522-09-8

• 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: 7-bromo-4-dimethylaminoquinoline
• 英文别名: 7-bromo-N,N-dimethylquinolin-4-amine；7-Bromo-4-dimethylaminoquinoline
• CAS: 1496522-09-8
• 化学式: C₁₁H₁₁BrN₂
• 分子量: 251.126
• InChiKey: PSWDBLLUJKDQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-硝基喹啉-N-氧化物 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 三氯化磷 作用下， 以 氯仿 为溶剂， 反应 55.0h， 生成 7-bromo-4-dimethylaminoquinoline
  参考文献：
  名称：

  Synthesis of 4,5-Bis(Dimethylamino)Quinolines and the Dual Direction of their Protonation

  摘要：

  A study on the synthesis of derivatives of 4,5-bis(dimethylamino)quinoline, which is a quinoline analog of 1,8-bis(dimethylamino)naphthalene (also known by its trade name Proton Sponge) was carried out. The first two representatives of this series were obtained. Depending on the aggregate state, solvent, and structural features, these compounds may be protonated either at the quinoline heteroatom or peri-NMe2 groups.

  DOI：

  10.1007/s10593-013-1380-4

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：ANTIDOTE IP HOLDINGS LLC

  公开号：WO2020231739A3

  公开（公告）日：2020-12-24
• COMPOUNDS AND METHODS FOR TREATING CANCER
  申请人：Antidote IP Holdings, LLC

  公开号：EP3966208A2

  公开（公告）日：2022-03-16
• Synthesis of 4,5-Bis(Dimethylamino)Quinolines and the Dual Direction of their Protonation
  作者：E. A. Shmoilova、O. V. Dyablo、A. F. Pozharskii

  DOI：10.1007/s10593-013-1380-4

  日期：2013.12

  A study on the synthesis of derivatives of 4,5-bis(dimethylamino)quinoline, which is a quinoline analog of 1,8-bis(dimethylamino)naphthalene (also known by its trade name Proton Sponge) was carried out. The first two representatives of this series were obtained. Depending on the aggregate state, solvent, and structural features, these compounds may be protonated either at the quinoline heteroatom or peri-NMe2 groups.