14-(4-Chlorophenyl)-6-methoxy-17-thia-2,12,13,15-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,13,15-heptaen-11-one | 1211543-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 14-(4-Chlorophenyl)-6-methoxy-17-thia-2,12,13,15-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,13,15-heptaen-11-one
• CAS: 1211543-14-4
• 化学式: C₁₉H₁₁ClN₄O₂S
• 分子量: 394.841
• InChiKey: GPFWXHFKDRJXIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-6-methoxyquinoline-3-carboxylic acid 、 5-(4-氯苯基)-2,4-二氢-[1,2,4]-三唑-3-硫酮 在 sodium acetate 、 乙酸酐 作用下， 反应 6.0h， 以73%的产率得到14-(4-Chlorophenyl)-6-methoxy-17-thia-2,12,13,15-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,13,15-heptaen-11-one
  参考文献：
  名称：

  Synthesis, Characterization, and Antimicrobial Studies of Some Quinolines Containing 1,3-Thiazines

  摘要：

  6/8-Substituted-2-chloroquinoline-3-carboxylic acids, upon reaction with 3-(p-substituted aryl)-4H-5-mercapto-1,2,4-triazoles in the presence of sodium acetate and an acetic anhydride medium, afforded a novel series of 2-(p-substituted aryl)-s-triazolo[5,1-b]-6/8-substituted quinolino [1,3] thiazin-9(H)-ones. The structures of the new compounds were elucidated by IR, (1)H NMR, and mass spectral studies. All the newly synthesized compounds have been screened for their antibacterial and antifungal activities. Most of them showed significant activity comparable with that of the standards Furacin and Flucanazol.

  DOI：

  10.1080/10426500802561450

文献信息

• Synthesis, Characterization, and Antimicrobial Studies of Some Quinolines Containing 1,3-Thiazines
  作者：Janardhana Nayak、K. S. Girisha、Balakrishna Kalluraya、Shalini Shenoy

  DOI：10.1080/10426500802561450

  日期：2009.10.13

  6/8-Substituted-2-chloroquinoline-3-carboxylic acids, upon reaction with 3-(p-substituted aryl)-4H-5-mercapto-1,2,4-triazoles in the presence of sodium acetate and an acetic anhydride medium, afforded a novel series of 2-(p-substituted aryl)-s-triazolo[5,1-b]-6/8-substituted quinolino [1,3] thiazin-9(H)-ones. The structures of the new compounds were elucidated by IR, (1)H NMR, and mass spectral studies. All the newly synthesized compounds have been screened for their antibacterial and antifungal activities. Most of them showed significant activity comparable with that of the standards Furacin and Flucanazol.