3-ethyl-4-o-hydroxybenzylidenamino-4,5-dihydro-1,2,4-triazol-5-one | 137182-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-ethyl-4-o-hydroxybenzylidenamino-4,5-dihydro-1,2,4-triazol-5-one
• 英文别名: 3-ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one；3-ethyl-4-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one
• CAS: 137182-48-0
• 化学式: C₁₁H₁₂N₄O₂
• 分子量: 232.242
• InChiKey: SIGSHOBINRFVAZ-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-amino-5-ethyl-2,4-dihydro-[1,2,4]triazol-3-one 、 水杨醛 以 乙醇 为溶剂， 反应 1.0h， 以91%的产率得到3-ethyl-4-o-hydroxybenzylidenamino-4,5-dihydro-1,2,4-triazol-5-one
  参考文献：
  名称：

  Synthesis of some benzylidenamino compounds

  摘要：

  Reactions of 3-substituted-4-amino-4,5-dihydro-1,2,4-triazol-5-ones with salicylaldehyde, o-chlorobenzaldehyde and p-tolualdehyde were studied, and 14 new benzylidenamino compounds were obtained.

  DOI：

  10.1007/bf00809810

文献信息

• IKIZLER, A. AYKUT;IKIZLER, AYSUN;YILDIRIM, NURI, MONATSH. CHEM., 122,(1991) N-7, C. 557-563
  作者：IKIZLER, A. AYKUT、IKIZLER, AYSUN、YILDIRIM, NURI

  DOI：——

  日期：——
• Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells
  申请人：Szakacs Gergely

  公开号：US20080214606A1

  公开（公告）日：2008-09-04

  The present invention relates to novel methods for the identification of compounds useful for the treatment of drug resistance, and to novel treatment methods using the identified compounds.