1-(4-氯苯基)-3-(5-甲基异恶唑-3-基)脲 | 55807-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-氯苯基)-3-(5-甲基异恶唑-3-基)脲
• 英文名称: 1-(4-chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
• 英文别名: N-(4-chlorophenyl)-N'-(5-methyl-3-isoxazolyl)-urea；1-(4-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
• CAS: 55807-83-5
• 化学式: C₁₁H₁₀ClN₃O₂
• 分子量: 251.672
• InChiKey: WZVHVSUVNZTWMT-UHFFFAOYSA-N

物化性质

• 溶解度：
  1.4 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯基)-3-(5-甲基异恶唑-3-基)脲 在 碘 作用下， 以 乙醇 为溶剂， 以74%的产率得到(Z)-4-chloro-N-(6-methyl-2H-isoxazolo[2,3-b][1,2,4]oxadiazol-2-ylidene)aniline
  参考文献：
  名称：

  Design, synthesis, and antimicrobial activity of novel spiroisoxazolo[2,3-b][1,2,4]thiadiazole-2,2′-thiazolidine- 4′-ones and spiroisoxazolo[2,3-b][1,2,4]oxadiazole-2, 2′-thiazolidine-4′-ones

  摘要：

  A new synthetic strategy for the synthesis of novel 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]thiadiazole-2,2'-thiazolidin]-4'-ones (9a-9e) and 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]oxadiazole-2,2'-thiazolidin]-4'-ones (12a-12e) analogs is described. These compounds showed significant antimicrobial activity against all the standard strains.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.703671
• 作为产物：
  描述：

  3-氨基-5-甲基异恶唑 、 对氯苯异氰酸酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 1-(4-氯苯基)-3-(5-甲基异恶唑-3-基)脲
  参考文献：
  名称：

  Design, synthesis, and antimicrobial activity of novel spiroisoxazolo[2,3-b][1,2,4]thiadiazole-2,2′-thiazolidine- 4′-ones and spiroisoxazolo[2,3-b][1,2,4]oxadiazole-2, 2′-thiazolidine-4′-ones

  摘要：

  A new synthetic strategy for the synthesis of novel 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]thiadiazole-2,2'-thiazolidin]-4'-ones (9a-9e) and 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]oxadiazole-2,2'-thiazolidin]-4'-ones (12a-12e) analogs is described. These compounds showed significant antimicrobial activity against all the standard strains.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.703671

文献信息

• Rajanarendar; Ramu; Srinivas, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 8, p. 1784 - 1786
  作者：Rajanarendar、Ramu、Srinivas

  DOI：——

  日期：——
• Design, synthesis, and antimicrobial activity of novel spiroisoxazolo[2,3-<i>b</i>][1,2,4]thiadiazole-2,2′-thiazolidine- 4′-ones and spiroisoxazolo[2,3-<i>b</i>][1,2,4]oxadiazole-2, 2′-thiazolidine-4′-ones
  作者：Rajanarendar Eligeti、Ramakrishna Saini、Nagaraju Dharavath

  DOI：10.1080/17415993.2012.703671

  日期：2012.8

  A new synthetic strategy for the synthesis of novel 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]thiadiazole-2,2'-thiazolidin]-4'-ones (9a-9e) and 6-methyl-3'-aryl spiro[isoxazolo[2,3-b][1,2,4]oxadiazole-2,2'-thiazolidin]-4'-ones (12a-12e) analogs is described. These compounds showed significant antimicrobial activity against all the standard strains.[GRAPHICS].