1-(8-methoxy-2-methyl-4-thioxo-1,4-dihydroquinolin-3-yl)propan-2-one | 957220-60-9

• 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: 1-(8-methoxy-2-methyl-4-thioxo-1,4-dihydroquinolin-3-yl)propan-2-one
• 英文别名: 1-(8-Methoxy-2-methyl-4-thioxo-1,4-dihydro-quinolin-3-yl)propan-2-one；1-(8-methoxy-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)propan-2-one
• CAS: 957220-60-9
• 化学式: C₁₄H₁₅NO₂S
• 分子量: 261.345
• InChiKey: GNTDNONZFWGAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(8-methoxy-2-methyl-4-thioxo-1,4-dihydroquinolin-3-yl)propan-2-one 在 硫酸 作用下， 生成 6-methoxy-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-[8-methoxy-2-methyl-3-(2-oxopropyl)quinolin-4-yl]isothiourea hydrochloride 在 sodium hydroxide 作用下， 反应 1.5h， 以87%的产率得到1-(8-methoxy-2-methyl-4-thioxo-1,4-dihydroquinolin-3-yl)propan-2-one
  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