4-(4-chlorobenzyl)-5-oxo-7-(5-(4-bromophenyl)-2-furylidene)-1,2,4,-triazino-(3,4,-b)-thiazol-6-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-chlorobenzyl)-5-oxo-7-(5-(4-bromophenyl)-2-furylidene)-1,2,4,-triazino-(3,4,-b)-thiazol-6-one
• 英文别名: (7Z)-7-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
• 化学式: C₂₃H₁₃BrClN₃O₃S
• 分子量: 526.798
• InChiKey: AEEOVEFOCZREAP-NDENLUEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methyl-4-(4-chlorobenzylidene)-4H-oxazol-5-one 在 氢氧化钾 、 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 10.0h， 生成 4-(4-chlorobenzyl)-5-oxo-7-(5-(4-bromophenyl)-2-furylidene)-1,2,4,-triazino-(3,4,-b)-thiazol-6-one
  参考文献：
  名称：

  A Novel Three‐Component Synthesis of Triazinothiazolones

  摘要：

  A series of 4-arylidene-2-methyloxazol-5-ones 1 were condensed with thiosemi-carbazide to yield 6-arylmethyl-3-mercapto-1,2,4-triazin-5-ones 2. The resulting mercapto triazinones 2 were condensed with monochloroacetic acid and 5-aryl-furan-2-carboxaldehydes 3 in a one-pot three-component reaction in the presence of acetic anhydride, acetic acid, and sodium acetate to yield 4-substituted-5oxo-7-(5-aryl-2-furfurylidene)-1,2,4-triazino[3,4-b]-thiazol-6-ones 4. Some of the newly synthesized compounds were tested for their antibacterial activity against Gram (+)ve and Gram (-)ve bacteria. The results of such studies are discussed in this paper.

  DOI：

  10.1081/scc-200048903

文献信息

• A Novel Three‐Component Synthesis of Triazinothiazolones
  作者：Bantval Shivarama Holla、Kani Veetil Malini、Balladka Kunhanna Sarojini、Boja Poojary

  DOI：10.1081/scc-200048903

  日期：2005.1.1

  A series of 4-arylidene-2-methyloxazol-5-ones 1 were condensed with thiosemi-carbazide to yield 6-arylmethyl-3-mercapto-1,2,4-triazin-5-ones 2. The resulting mercapto triazinones 2 were condensed with monochloroacetic acid and 5-aryl-furan-2-carboxaldehydes 3 in a one-pot three-component reaction in the presence of acetic anhydride, acetic acid, and sodium acetate to yield 4-substituted-5oxo-7-(5-aryl-2-furfurylidene)-1,2,4-triazino[3,4-b]-thiazol-6-ones 4. Some of the newly synthesized compounds were tested for their antibacterial activity against Gram (+)ve and Gram (-)ve bacteria. The results of such studies are discussed in this paper.