8-methyl-4-chloroquinoline-2-carboxylic acid | 1341411-70-8

• 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: 8-methyl-4-chloroquinoline-2-carboxylic acid
• 英文别名: 4-chloro-8-methylquinoline-2-carboxylic acid
• CAS: 1341411-70-8
• 化学式: C₁₁H₈ClNO₂
• 分子量: 221.643
• InChiKey: ACUACYZYENXKQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯-2,8-二甲基喹啉 在 双氧水 、 对甲苯磺酸 作用下， 生成 8-methyl-4-chloroquinoline-2-carboxylic acid
  参考文献：
  名称：

  Structure, synthesis, and voltammetric investigation of 1-(quinolin-2-yl)-2-(pyran-2-yl)ethane-1,2-dione derivatives

  摘要：

  By the XRD analysis the structure was established of 1-(7,8-dimethyl-4-chloroquinolin-2-yl)-2-[3,5-di(tert-butyl)-6-oxo-6H-pyran-2-yl]ethane-1,2-dione formed as a result of the oxidation of 3,5-di(tert-butyl)-6-[(Z)-2-(quinolin-2-yl)-1-hydroxyethen-1-yl]pyran-2-ones. By the cyclic voltammetry the oxidation of 1-(quinolin-2-yl)-2-(pyran-2-yl)ethane-1,2-dione derivatives was shown to proceed in two stages.

  DOI：

  10.1134/s1070428012020017

文献信息

• Structure, synthesis, and voltammetric investigation of 1-(quinolin-2-yl)-2-(pyran-2-yl)ethane-1,2-dione derivatives
  作者：V. V. Tkachev、G. V. Shilov、S. M. Aldoshin、E. A. Gusakov、Yu. A. Sayapin、A. A. Bumber、V. N. Komissarov、V. I. Minkin

  DOI：10.1134/s1070428012020017

  日期：2012.2

  By the XRD analysis the structure was established of 1-(7,8-dimethyl-4-chloroquinolin-2-yl)-2-[3,5-di(tert-butyl)-6-oxo-6H-pyran-2-yl]ethane-1,2-dione formed as a result of the oxidation of 3,5-di(tert-butyl)-6-[(Z)-2-(quinolin-2-yl)-1-hydroxyethen-1-yl]pyran-2-ones. By the cyclic voltammetry the oxidation of 1-(quinolin-2-yl)-2-(pyran-2-yl)ethane-1,2-dione derivatives was shown to proceed in two stages.