3-[(3,5-Dichlorophenyl)methylidene]-5-methylhexane-2,4-dione | 1193356-57-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-[(3,5-Dichlorophenyl)methylidene]-5-methylhexane-2,4-dione
• CAS: 1193356-57-8
• 化学式: C₁₄H₁₄Cl₂O₂
• 分子量: 285.17
• InChiKey: VUGZHPCOPHXMMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[(3,5-Dichlorophenyl)methylidene]-5-methylhexane-2,4-dione 在 Pd-BaSO₄ 、 氢气 作用下， 以 乙醇 为溶剂， 以80%的产率得到3-[(3,5-Dichlorophenyl)methyl]-5-methylhexane-2,4-dione
  参考文献：
  名称：

  Pyrazole NNRTIs 1: Design and initial optimisation of a novel template

  摘要：

  The design and synthesis of a novel series of non-nucleoside HIV reverse transcriptase inhibitors (NNR-TIs) based on a pyrazole template is described. These compounds are active against wild type reverse transcriptase (RT) and retain activity against clinically important mutants. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.039
• 作为产物：
  描述：

  3,5-二氯苯甲醛 、 异丁酰基丙酮 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 以50%的产率得到3-[(3,5-Dichlorophenyl)methylidene]-5-methylhexane-2,4-dione
  参考文献：
  名称：

  Pyrazole NNRTIs 1: Design and initial optimisation of a novel template

  摘要：

  The design and synthesis of a novel series of non-nucleoside HIV reverse transcriptase inhibitors (NNR-TIs) based on a pyrazole template is described. These compounds are active against wild type reverse transcriptase (RT) and retain activity against clinically important mutants. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.039

文献信息

• Pyrazole NNRTIs 1: Design and initial optimisation of a novel template
  作者：Charles E. Mowbray、Catherine Burt、Romuald Corbau、Manos Perros、Isabelle Tran、Paul A. Stupple、Rob Webster、Anthony Wood

  DOI：10.1016/j.bmcl.2009.08.039

  日期：2009.10

  The design and synthesis of a novel series of non-nucleoside HIV reverse transcriptase inhibitors (NNR-TIs) based on a pyrazole template is described. These compounds are active against wild type reverse transcriptase (RT) and retain activity against clinically important mutants. (C) 2009 Elsevier Ltd. All rights reserved.