p-hydroxy-m-methoxybenzylidene-2-amino-4-phenylthiazole | 13243-77-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: p-hydroxy-m-methoxybenzylidene-2-amino-4-phenylthiazole
• 英文别名: 2-Methoxy-4-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol；2-methoxy-4-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
• CAS: 13243-77-1
• 化学式: C₁₇H₁₄N₂O₂S
• 分子量: 310.376
• InChiKey: JYOHKWFCFVADFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  p-hydroxy-m-methoxybenzylidene-2-amino-4-phenylthiazole 在 吡啶 作用下， 以 苯 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  Dash; Patra; Mahapatra, Journal of the Indian Chemical Society, 1983, vol. 60, # 8, p. 772 - 774

  摘要：

  DOI：
• 作为产物：
  描述：

  苯乙酮 在 碘 作用下， 以 乙醇 为溶剂， 反应 8.08h， 生成 p-hydroxy-m-methoxybenzylidene-2-amino-4-phenylthiazole
  参考文献：
  名称：

  Green synthesis of thiazol-2-ylthiazolidin-4-ones as potential antifungals

  摘要：

  MORE (Microwave oriented reaction enhancement) green methodology was utilized to synthesize benzothiazol/thiazol-2-ylthiazolidin-4-ones and relatively assayed for their antifungal activity w.r.t precursors against three agriculturally important phytopathogenic fungi viz. Colletotrichum falcatum, Pyricularia grisea and Ustilago hordei. Thiazol-2-ylthiazolidin-4-ones displayed better inhibition of growth of fungi than their precursor's thiazol-2-amines, with some compounds showing results comparable to their standard fungicides endorsing the effectiveness of chemical hybridization of thiazoles/benzothiazoles with thiazolidin-4-ones in a single molecule. In silico toxicity of all the compounds was found to be equivalent to the standard fungicides. Lipinski parameters were used to rationalize structure activity relation using statistical analysis software.

  DOI：

  10.1134/s10704272150120253

文献信息

• Dash; Patra; Mahapatra, Journal of the Indian Chemical Society, 1983, vol. 60, # 8, p. 772 - 774
  作者：Dash、Patra、Mahapatra

  DOI：——

  日期：——
• Green synthesis of thiazol-2-ylthiazolidin-4-ones as potential antifungals
  作者：K. Gumber、A. Sidhu、V. Kumar

  DOI：10.1134/s10704272150120253

  日期：2015.12

  MORE (Microwave oriented reaction enhancement) green methodology was utilized to synthesize benzothiazol/thiazol-2-ylthiazolidin-4-ones and relatively assayed for their antifungal activity w.r.t precursors against three agriculturally important phytopathogenic fungi viz. Colletotrichum falcatum, Pyricularia grisea and Ustilago hordei. Thiazol-2-ylthiazolidin-4-ones displayed better inhibition of growth of fungi than their precursor's thiazol-2-amines, with some compounds showing results comparable to their standard fungicides endorsing the effectiveness of chemical hybridization of thiazoles/benzothiazoles with thiazolidin-4-ones in a single molecule. In silico toxicity of all the compounds was found to be equivalent to the standard fungicides. Lipinski parameters were used to rationalize structure activity relation using statistical analysis software.