1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-phenylurea | 6321-10-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-phenylurea
• 英文别名: 1-(4-Hydroxy-2-methyl-5-propan-2-ylphenyl)-3-phenylurea
• CAS: 6321-10-4
• 化学式: C₁₇H₂₀N₂O₂
• 分子量: 284.358
• InChiKey: CWGSHXDTJQDWKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-phenylurea 在 碘苯二乙酸 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以38%的产率得到1-(5-isopropyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylurea
  参考文献：
  名称：

  Synthesis and structure of N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines

  摘要：

  New N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines were synthesized by reaction of isocyanates with the corresponding substituted 4-aminophenols, and their structure was determined on the basis of H-1 and C-13 NMR spectra and X-ray diffraction data.

  DOI：

  10.1134/s1070428008120075
• 作为产物：
  描述：

  4-氨基-5-甲基-2-(1-甲基乙基)苯酚 、 异氰酸苯酯 以 1,4-二氧六环 为溶剂， 以53%的产率得到1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-phenylurea
  参考文献：
  名称：

  Synthesis and structure of N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines

  摘要：

  New N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines were synthesized by reaction of isocyanates with the corresponding substituted 4-aminophenols, and their structure was determined on the basis of H-1 and C-13 NMR spectra and X-ray diffraction data.

  DOI：

  10.1134/s1070428008120075

文献信息

• Synthesis and structure of N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines
  作者：A. P. Avdeenko、S. A. Konovalova、A. G. Sergeeva、R. I. Zubatyuk、G. V. Palamarchuk、O. V. Shishkin

  DOI：10.1134/s1070428008120075

  日期：2008.12

  New N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone imines were synthesized by reaction of isocyanates with the corresponding substituted 4-aminophenols, and their structure was determined on the basis of H-1 and C-13 NMR spectra and X-ray diffraction data.