3-[(3,5-Dichlorophenyl)methyl]-5-methylhexane-2,4-dione | 390355-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(3,5-Dichlorophenyl)methyl]-5-methylhexane-2,4-dione
• CAS: 390355-94-9
• 化学式: C₁₄H₁₆Cl₂O₂
• 分子量: 287.186
• InChiKey: BMHILUQEIDOQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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)methyl]-5-methylhexane-2,4-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 以80%的产率得到4-(3,5-dichlorobenzyl)-3-isopropyl-5-methyl-1H-pyrazole
  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-[(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

文献信息

• Pyrazole derivatives
  申请人：——

  公开号：US20020032184A1

  公开（公告）日：2002-03-14

  This invention relates to the use of pyrazole derivatives of the formula 1 and pharmaceutically acceptable salts and solvates thereof, in the manufacture of a reverse transcriptase inhibitor or modulator, to certain novel such pyrazole derivatives and to processes for the preparation of and compositions containing such novel derivatives.

  本发明涉及在制造逆转录酶抑制剂或调节剂时使用式1的吡唑衍生物及其药用可接受的盐和溶剂化合物，涉及某些新型的这类吡唑衍生物以及制备这些新型衍生物和含有这些新型衍生物的组合物的方法。
• PYRAZOLE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1299361A1

  公开（公告）日：2003-04-09
• US6750230B2
  申请人：——

  公开号：US6750230B2

  公开（公告）日：2004-06-15
• US7141585B2
  申请人：——

  公开号：US7141585B2

  公开（公告）日：2006-11-28
• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DERIVES DE PYRAZOLE
  申请人：PFIZER LTD

  公开号：WO2002004424A1

  公开（公告）日：2002-01-17

  This invention relates to the use of pyrazole derivatives of formula (I) and pharmaceutically acceptable salts and solvates thereof, in the manufacture of a reverse transcriptase inhibitor or modulator, to certain novel such pyrazole derivatives and to processes for the preparation of and compositions containing such novel derivatives.