3-(2-chloroprop-2-en-1-yl)-2-methyl-1H-quinoline-4-thione | 957220-53-0

• 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: 3-(2-chloroprop-2-en-1-yl)-2-methyl-1H-quinoline-4-thione
• 英文别名: 3-(2-Chloroprop-2-en-1-yl)-2-methylquinoline-4(1h)-thione；3-(2-chloroprop-2-enyl)-2-methyl-1H-quinoline-4-thione
• CAS: 957220-53-0
• 化学式: C₁₃H₁₂ClNS
• 分子量: 249.764
• InChiKey: DUZCCCGJMLFSHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-chloroprop-2-en-1-yl)-2-methyl-1H-quinoline-4-thione 在 硫酸 作用下， 以99%的产率得到2,4-dimethylthieno[3,2-c]quinoline
  参考文献：
  名称：

  Synthesis of substituted 2,4-dimethylthieno[3,2-c]quinolines

  摘要：

  A procedure was developed for the synthesis of substituted 2,4-dimethylthieno[3,2-c]quinolines via intramolecular cyclization and subsequent arornatization of 3-(2-chloroprop-2-en-1-yl)- and 3-(2-oxopropyl)-2methylquinoline-4-thiols. The latter were obtained by alkaline hydrolysis of the corresponding thiuroniurn salts which were prepared in turn by reactions of 4-chloro-3-(2-chloroprop-2-en-1-yi)- and 4-chloro-3-(2-oxopropyl)-2-methylquinolines with thiourea.

  DOI：

  10.1134/s1070428007030165
• 作为产物：
  描述：

  S-[3-(2-chloroprop-2-en-1-yl)-2-methylquinolin-4-yl]isothiourea hydrochloride 在 sodium hydroxide 作用下， 反应 1.5h， 以71%的产率得到3-(2-chloroprop-2-en-1-yl)-2-methyl-1H-quinoline-4-thione
  参考文献：
  名称：

  Synthesis of substituted 2,4-dimethylthieno[3,2-c]quinolines

  摘要：

  A procedure was developed for the synthesis of substituted 2,4-dimethylthieno[3,2-c]quinolines via intramolecular cyclization and subsequent arornatization of 3-(2-chloroprop-2-en-1-yl)- and 3-(2-oxopropyl)-2methylquinoline-4-thiols. The latter were obtained by alkaline hydrolysis of the corresponding thiuroniurn salts which were prepared in turn by reactions of 4-chloro-3-(2-chloroprop-2-en-1-yi)- and 4-chloro-3-(2-oxopropyl)-2-methylquinolines with thiourea.

  DOI：

  10.1134/s1070428007030165