3-methyl-4-methoxy-1,2-dihydroxybenzene | 77357-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-methyl-4-methoxy-1,2-dihydroxybenzene
• 英文别名: 4-Methoxy-3-methylbenzene-1,2-diol
• CAS: 77357-51-8
• 化学式: C₈H₁₀O₃
• 分子量: 154.166
• InChiKey: IZNZLIAUTSELEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-4-methoxy-1,2-dihydroxybenzene 在 三溴化硼 、 sodium sulfate 、 silver(l) oxide 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 3.7h， 生成 2-Hydroxy-3-methyl-5-(1-pyrrolidinyl)-1,4-benzoquinone
  参考文献：
  名称：

  Amine addition to unsymmetrical benzoquinones

  摘要：

  DOI：

  10.1021/jo00326a029
• 作为产物：
  描述：

  2,4-二甲氧基-3-甲基苯酚 在 palladium on activated charcoal 氢气 、 溴 、 硝酸 作用下， 以 甲醇 、 四氯化碳 、 二氯甲烷 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 29.75h， 生成 3-methyl-4-methoxy-1,2-dihydroxybenzene
  参考文献：
  名称：

  Amine addition to unsymmetrical benzoquinones

  摘要：

  DOI：

  10.1021/jo00326a029

文献信息

• [EN] THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS THIAZOLIDIN-4-ONE ET [1,3]-THIAZINAN-4-ONE COMME ANTAGONISTES DES RÉCEPTEURS À L'ORÉXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010131191A1

  公开（公告）日：2010-11-18

  The present invention relates to thiazolidin-4-one and [1,3]-thiazinan-4-one compounds of formula (I) wherein X, Y, R3 and R4 are as described in the description, or pharmaceutically acceptable salts thereof, for the prevention or treatment of diseases related to the orexin system. The present invention also relates to novel thiazolidin-4-one compounds of formula (II) and their use as pharmaceuticals, pharmaceutical compositions containing one or more compounds of formula (II), and especially their use as orexin receptor antagonists.

  本发明涉及式(I)的噻唑啉-4-酮和[1,3]-噻唑烷-4-酮化合物，其中X、Y、R3和R4如描述中所述，或其药学上可接受的盐，用于预防或治疗与促进素系统相关的疾病。本发明还涉及式(II)的新型噻唑啉-4-酮化合物及其作为药物的用途，含有一个或多个式(II)化合物的制药组合物，尤其是它们作为促进素受体拮抗剂的用途。
• Development of Novel Antioxidants:  Design, Synthesis, and Reactivity
  作者：Helmi H. Hussain、Gordana Babic、Tony Durst、James S. Wright、Mihaela Flueraru、Alexandru Chichirau、Leonid L. Chepelev

  DOI：10.1021/jo0301090

  日期：2003.9.1

  We are attempting to develop novel synthetic antioxidants aimed at retarding the effects of free-radical induced cell damage. In this paper we discuss the design strategy and report the synthesis of seven novel antioxidants, including six catechols and a benzylic phenol. The bond dissociation enthalpy (BDE) for the most active (weakest) OH bond in each molecule was calculated by theoretical methods, as well as the BDE for the semiquinone radical. Reaction rates with the nitrogen-centered free radical DPPH. were measured in ethyl acetate. The log of k(DPPH) for bimolecular reaction correlated well with the primary BDE. The correlation between rate constants and calculated BDEs shows that the BDE is a good predictor of antioxidant activity with DPPH., suggesting that our design criteria are useful and that these compounds should undergo further testing in cell cultures and in animal models.
• [EN] NOVEL OXAZOLIDINONE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS OXAZOLIDINONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010131192A2

  公开（公告）日：2010-11-18

  The present invention relates to oxazolidinone derivatives of formula (I) wherein Y, R3 and R4 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as orexin receptor antagonists.