3-[(4-chlorophenyl)methyl]-7-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione | 1217364-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[(4-chlorophenyl)methyl]-7-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
• CAS: 1217364-25-4
• 化学式: C₂₂H₁₈ClN₃O₅S
• 分子量: 471.921
• InChiKey: XBUVNBFAJBZTKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  92.02
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  氯乙酸 、 2,4,5-三甲氧基苯甲醛 、 3,4-dihydro-6-(4-chlorobenzyl)-3-thioxo-1,2,4-triazin-5(2H)-one 在 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 反应 5.0h， 以83%的产率得到3-[(4-chlorophenyl)methyl]-7-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
  参考文献：
  名称：

  Synthesis and Antimicrobial Evaluation of Halogen-Containing Arylidene Thiazolo Triazinediones

  摘要：

  A series of 7-substituted arylidene-1,3-thiazolo[2,3-c]-1,2,4-triazine-4,6-diones were synthesized in an one-pot multicomponent reaction of 6-arylmethyl-3-mercapto1,2,4- triazin-5-ones with substituted benzaldehydes and monochloroacetic acid in the presence of acetic anhydride, acetic acid, and sodium acetate. The structures of the new compounds were supported by IR, H-1 NMR, MS, and analytical data. All the new compounds were tested for their antibacterial and antifungal activity. Arylidene thiazolo triazinediones with 1,3-benzodioxolo substituent at seventh and p-chlorophenyl or 2,4-dichlorophenyl substituents at third displayed good antibacterial and antifungal activity. And also compound bearing 2,3,5-trimethoxyphenyl substituent at seventh and 2,4-dichlorophenyl substituent at third displayed good activity.

  DOI：

  10.1080/10426500902979917