diphenyl-propanetrione 2-p-tolylhydrazone | 84037-27-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: diphenyl-propanetrione 2-p-tolylhydrazone
• 英文别名: (4-methyl)phenylazodibenzoylmethane；<4-Methyl-benzolazo>-dibenzoyl-methan
• CAS: 84037-27-4
• 化学式: C₂₂H₁₈N₂O₂
• 分子量: 342.397
• InChiKey: GBVMRMUXLFFIFZ-WCWDXBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.86
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  diphenyl-propanetrione 2-p-tolylhydrazone 在 氢氧化钾 、 sodium ethanolate 、 三乙胺盐酸盐 作用下， 以 乙醇 、 水 、 苯 为溶剂， 生成 5-[2-(2-methylprop-1-enyl)-1H-6-methyl-benzimidzol-1-yl]-4,6-diphenylpyrimidin-2-(5H)-thione
  参考文献：
  名称：

  Synthesis and QSAR studies on 5-[2-(2-methylprop1-enyl)-1H benzimidazol-1yl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives as antibacterial agents

  摘要：

  A new series of 5-[2-(2-methylpropl-enyl)-1H-benzimidazol-lyl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives [3a-q] has been synthesized and subjected to evaluate their antibacterial properties. All the synthesized compounds of the series displayed, remarkable activity in comparison to standard drug (ampicillin). A number of descriptors were tested to adjudge a quantitative correlation between activity and structural features. However, significant correlations have emerged between activity and physicochemical parameters viz. polarizability parameter (MR). Moreover, results are interpreted on the basis of multiple regression and cross-validation methodology. (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.03.022
• 作为产物：
  描述：

  二苯甲酰基甲烷 、 p-methylbenzenediazonium chloride 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 生成 diphenyl-propanetrione 2-p-tolylhydrazone
  参考文献：
  名称：

  Dhingra, Vinod; Bhatawdekar, Renu; Agarwal, Lily, Journal of the Indian Chemical Society, 1991, vol. 68, # 12, p. 672 - 673

  摘要：

  DOI：

文献信息

• MOHAN, M.;ARORA, C. P.;GUPTA, H. K.;JRA, N. K., ACTA PHARM. JUGOSL., 1986, 36, N 1, 37-45
  作者：MOHAN, M.、ARORA, C. P.、GUPTA, H. K.、JRA, N. K.

  DOI：——

  日期：——
• Dhingra, Vinod; Bhatawdekar, Renu; Agarwal, Lily, Journal of the Indian Chemical Society, 1991, vol. 68, # 12, p. 672 - 673
  作者：Dhingra, Vinod、Bhatawdekar, Renu、Agarwal, Lily、Jolly, V. S.

  DOI：——

  日期：——
• Synthesis and QSAR studies on 5-[2-(2-methylprop1-enyl)-1H benzimidazol-1yl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives as antibacterial agents
  作者：P. Sharma、A. Kumar、M. Sharma

  DOI：10.1016/j.ejmech.2006.03.022

  日期：2006.7

  A new series of 5-[2-(2-methylpropl-enyl)-1H-benzimidazol-lyl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives [3a-q] has been synthesized and subjected to evaluate their antibacterial properties. All the synthesized compounds of the series displayed, remarkable activity in comparison to standard drug (ampicillin). A number of descriptors were tested to adjudge a quantitative correlation between activity and structural features. However, significant correlations have emerged between activity and physicochemical parameters viz. polarizability parameter (MR). Moreover, results are interpreted on the basis of multiple regression and cross-validation methodology. (c) 2006 Elsevier SAS. All rights reserved.