4-(4'-hydroxybenzylidene)-2-methyl-4-oxazolone | 73043-18-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(4'-hydroxybenzylidene)-2-methyl-4-oxazolone
• 英文别名: 4-[(4-Hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5(4H)-one；4-[(4-hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
• CAS: 73043-18-2
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: PYBITUFTDGPYIE-UHFFFAOYSA-N

物化性质

• 熔点：
  187 °C
• 沸点：
  346.2±52.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4'-hydroxybenzylidene)-2-methyl-4-oxazolone 在 sodium acetate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(1-(4-(4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)phenyl)ethylidene)hydrazinecarbothioamide
  参考文献：
  名称：

  Microwave-assisted synthesis and antimicrobial screening of new imidazole derivatives bearing 4-thiazolidinone nucleus

  摘要：

  A new series of compounds 2-((1-(4-(4-arylidene-2-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)phenyl)ethylidene)hydrazono)thiazolidin-4-ones (4a-o) have been synthesized under conventional and microwave irradiation method. All compounds were characterized by IR, H-1 NMR, C-13 NMR and mass spectra. Newly synthesized compounds were screened for their antibacterial and antifungal activities on Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, Staphylococcus pyogenes, Candida albicans, Aspergillus niger and Aspergillus clavatus by bioassays, namely serial broth dilution. The synthesized compounds showed potent antimicrobial activity against tested microorganisms. Compounds 4h, 4j, 4m and 4n were the most potent amongst tested compounds.

  DOI：

  10.1007/s00044-012-0190-z
• 作为产物：
  描述：

  对羟基苯甲醛 、 N-乙酰甘氨酸 在 sodium acetate 、 乙酸酐 作用下， 生成 4-(4'-hydroxybenzylidene)-2-methyl-4-oxazolone
  参考文献：
  名称：

  Desai; Bhatt; Shah, Il Farmaco, 1996, vol. 51, # 5, p. 361 - 366

  摘要：

  DOI：

文献信息

• Kaur, Ranjit; Rao, Gopal Krishna; Pai, P. N. Sanjay, Indian Journal of Heterocyclic Chemistry, 2010, vol. 19, # 3, p. 261 - 264
  作者：Kaur, Ranjit、Rao, Gopal Krishna、Pai, P. N. Sanjay

  DOI：——

  日期：——
• Upadhyay; Pandya; Parekh, Journal of the Indian Chemical Society, 1991, vol. 68, # 5, p. 296 - 298
  作者：Upadhyay、Pandya、Parekh

  DOI：——

  日期：——
• Singh, Saraswati; Dave, Utpal; Parikh, A. R., Journal of the Indian Chemical Society, 1994, vol. 71, # 3, p. 159 - 160
  作者：Singh, Saraswati、Dave, Utpal、Parikh, A. R.

  DOI：——

  日期：——
• Dabholkar, Vijay V.; Ahmed, Syed Sagir, Indian Journal of Heterocyclic Chemistry, 2010, vol. 20, # 2, p. 171 - 172
  作者：Dabholkar, Vijay V.、Ahmed, Syed Sagir

  DOI：——

  日期：——
• Trivedi; Kubawat; Parekh, Journal of the Indian Chemical Society, 2002, vol. 79, # 3, p. 282 - 283
  作者：Trivedi、Kubawat、Parekh

  DOI：——

  日期：——