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2-(2,4,5-trichlorophenoxy)propanehydrazide | 856811-77-3

中文名称
——
中文别名
——
英文名称
2-(2,4,5-trichlorophenoxy)propanehydrazide
英文别名
——
2-(2,4,5-trichlorophenoxy)propanehydrazide化学式
CAS
856811-77-3
化学式
C9H9Cl3N2O2
mdl
——
分子量
283.542
InChiKey
WVIDCJPFUHIVJU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.8
  • 重原子数:
    16
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.22
  • 拓扑面积:
    64.4
  • 氢给体数:
    2
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2-(2,4,5-trichlorophenoxy)propanehydrazide对甲基苯乙酮溶剂黄146 作用下, 以 乙醇 为溶剂, 反应 2.0h, 以93%的产率得到2-(2,4,5-trichlorophenoxy)-N'-(1-p-tolylethylidene)propanehydrazide
    参考文献:
    名称:
    Design, synthesis and molecular modelling of novel 4-thiazolidinones of potential activity against Gram positive bacteria
    摘要:
    A series of novel 4-thiazolidinones (2-21) incorporating 2-(2,4,5-trichlorophenoxy)propanamide was synthesised. Reaction of 2-(2,4,5-trichlorophenoxy)propanohydrazide (1) with the corresponding carbonyl compounds afforded 2-(2,4,5-trichlorophenoxy)propanehydrazide hydrazones (2-11) which upon reaction with thioglycolic acid revealed 4-thiazolidinone derivatives (12-21). Structure elucidation of the synthesised compounds was done based on analytical and spectral data. The newly synthesised compounds were evaluated for their antimicrobial activity. Compounds 13 and 17 showed the equipotent activity with MIC value 6.25 mu g ml(-1) compared with chloramphenicol as reference drug. Docking studies of the promising compounds was done on MurB using Dock6.4 docking program to study their observed activity.
    DOI:
    10.1007/s00044-012-0115-x
  • 作为产物:
    描述:
    2,4,5-涕丙酸硫酸一水合肼 作用下, 以 乙醇 为溶剂, 反应 7.0h, 生成 2-(2,4,5-trichlorophenoxy)propanehydrazide
    参考文献:
    名称:
    Design, synthesis and molecular modelling of novel 4-thiazolidinones of potential activity against Gram positive bacteria
    摘要:
    A series of novel 4-thiazolidinones (2-21) incorporating 2-(2,4,5-trichlorophenoxy)propanamide was synthesised. Reaction of 2-(2,4,5-trichlorophenoxy)propanohydrazide (1) with the corresponding carbonyl compounds afforded 2-(2,4,5-trichlorophenoxy)propanehydrazide hydrazones (2-11) which upon reaction with thioglycolic acid revealed 4-thiazolidinone derivatives (12-21). Structure elucidation of the synthesised compounds was done based on analytical and spectral data. The newly synthesised compounds were evaluated for their antimicrobial activity. Compounds 13 and 17 showed the equipotent activity with MIC value 6.25 mu g ml(-1) compared with chloramphenicol as reference drug. Docking studies of the promising compounds was done on MurB using Dock6.4 docking program to study their observed activity.
    DOI:
    10.1007/s00044-012-0115-x
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文献信息

  • Design, synthesis and molecular modelling of novel 4-thiazolidinones of potential activity against Gram positive bacteria
    作者:Awwad A. Radwan
    DOI:10.1007/s00044-012-0115-x
    日期:2013.3
    A series of novel 4-thiazolidinones (2-21) incorporating 2-(2,4,5-trichlorophenoxy)propanamide was synthesised. Reaction of 2-(2,4,5-trichlorophenoxy)propanohydrazide (1) with the corresponding carbonyl compounds afforded 2-(2,4,5-trichlorophenoxy)propanehydrazide hydrazones (2-11) which upon reaction with thioglycolic acid revealed 4-thiazolidinone derivatives (12-21). Structure elucidation of the synthesised compounds was done based on analytical and spectral data. The newly synthesised compounds were evaluated for their antimicrobial activity. Compounds 13 and 17 showed the equipotent activity with MIC value 6.25 mu g ml(-1) compared with chloramphenicol as reference drug. Docking studies of the promising compounds was done on MurB using Dock6.4 docking program to study their observed activity.
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