4-formyl-6-chlorocarbostyril | 35894-07-6

• 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: 4-formyl-6-chlorocarbostyril
• 英文别名: 6-Chlor-4-formylcarbostyril；6-chloro-2-oxo-1,2-dihydro-quinoline-4-carbaldehyde；6-chloro-2-keto-1H-quinoline-4-carbaldehyde；6-chloro-2-oxo-1H-quinoline-4-carbaldehyde
• CAS: 35894-07-6
• 化学式: C₁₀H₆ClNO₂
• 分子量: 207.616
• InChiKey: SIUVIVYHZCXAOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(bromomethyl)-6-chloroquinolin-2(1H)-one 在 sodium carbonate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 16.0h， 以54%的产率得到4-formyl-6-chlorocarbostyril
  参考文献：
  名称：

  Effects of Base for the Efficient Synthesis of 4-Formylcoumarins and 4-Formylcarbostyrils

  摘要：

  The first efficient transformation of 4-bromomethylcoumarins and 4-bromomethylcarbostyrils to 4-formylcoumarins and 4-formylcarbostyril under aqueous conditions has been achieved by modifying the Kornblum method, resulting in excellent yield. The experimental method is very simple and economical; no further purification is required and the experimental conditions have been optimized. All the isolated compounds were characterized by infrared, NMR, and mass spectroscopy, and some of the compounds have been analyzed by single-crystal x-ray analysis.

  DOI：

  10.1080/00397911.2014.981754

文献信息

• Effects of Base for the Efficient Synthesis of 4-Formylcoumarins and 4-Formylcarbostyrils
  作者：Megharaja Holiyachi、Samundeeswari L. Shastri、Bahubali M. Chougala、Lokesh A. Shastri

  DOI：10.1080/00397911.2014.981754

  日期：2015.4.18

  The first efficient transformation of 4-bromomethylcoumarins and 4-bromomethylcarbostyrils to 4-formylcoumarins and 4-formylcarbostyril under aqueous conditions has been achieved by modifying the Kornblum method, resulting in excellent yield. The experimental method is very simple and economical; no further purification is required and the experimental conditions have been optimized. All the isolated compounds were characterized by infrared, NMR, and mass spectroscopy, and some of the compounds have been analyzed by single-crystal x-ray analysis.