3-(2-benzyloxy-5-chlorophenoxy)-1,2-epoxypropane | 1229827-08-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-benzyloxy-5-chlorophenoxy)-1,2-epoxypropane
• 英文别名: 2-(2-benzyloxy-5-chloro-phenoxymethyl)-oxirane；2-[(5-chloro-2-phenylmethoxyphenoxy)methyl]oxirane
• CAS: 1229827-08-0
• 化学式: C₁₆H₁₅ClO₃
• 分子量: 290.746
• InChiKey: CMDOAUPNNVZLAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-benzyloxy-5-chlorophenoxy)-1,2-epoxypropane 在 5%-palladium/activated carbon 、 氢气 、 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 6-chloro-2-mesyloxymethyl-1,4-benzodioxane
  参考文献：
  名称：

  Benzodioxane–benzamides as new bacterial cell division inhibitors

  摘要：

  A SAR study was performed on 3-substituted 2,6-difluorobenzamides, known inhibitors of the essential bacterial cell division protein FtsZ, through a series of modifications first of 2,6-difluoro-3-nonyloxybenzamide and then of its 3-pyridothiazolylmethoxy analogue PC190723. The study led to the identification of chiral 2,6-difluorobenzamides bearing 1,4-benzodioxane-2-methyl residue at the 3-position as potent antistaphylococcal compounds. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.09.100
• 作为产物：
  描述：

  2-(苄氧基)-5-氯苯甲醛 在 potassium carbonate 、 间氯过氧苯甲酸 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 3-(2-benzyloxy-5-chlorophenoxy)-1,2-epoxypropane
  参考文献：
  名称：

  Benzodioxane–benzamides as new bacterial cell division inhibitors

  摘要：

  A SAR study was performed on 3-substituted 2,6-difluorobenzamides, known inhibitors of the essential bacterial cell division protein FtsZ, through a series of modifications first of 2,6-difluoro-3-nonyloxybenzamide and then of its 3-pyridothiazolylmethoxy analogue PC190723. The study led to the identification of chiral 2,6-difluorobenzamides bearing 1,4-benzodioxane-2-methyl residue at the 3-position as potent antistaphylococcal compounds. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.09.100

文献信息

• NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS
  申请人：KHAMRAI Uttam

  公开号：US20100152160A1

  公开（公告）日：2010-06-17

  The present invention relates to benzodioxane and benzoxazine derivatives that act as ligands for CC chemokine receptors, such as CCR1. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为CC化学趋化因子受体（如CCR1）配体的苯二氧杂环己烷和苯并噁嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES
  申请人：Ballentine Scott A.

  公开号：US20090247618A1

  公开（公告）日：2009-10-01

  The present invention is directed to processes for the preparation of benzo-fused heteroaryl derivatives, useful for the treatment of epilepsy and related disorders. The present invention is further directed to processes for the preparation of intermediates in the synthesis of the benzo-fused heteroaryl derivatives.

  本发明涉及用于制备苯并杂环衍生物的方法，用于治疗癫痫和相关疾病。本发明还涉及用于制备苯并杂环衍生物合成中间体的方法。
• [EN] NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZODIOXANE ET BENZOXAZINE UTILES EN TANT QUE LIGANDS POUR LES RÉCEPTEURS DE CHIMIOKINE CC
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010068881A1

  公开（公告）日：2010-06-17

  The present invention relates to benzodioxane and benzoxazine derivatives that act as ligands for CC chemokine receptors, such as CCRl. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.
• Benzodioxane–benzamides as new bacterial cell division inhibitors
  作者：Giuseppe Chiodini、Marco Pallavicini、Carlo Zanotto、Massimiliano Bissa、Antonia Radaelli、Valentina Straniero、Cristiano Bolchi、Laura Fumagalli、Paola Ruggeri、Carlo De Giuli Morghen、Ermanno Valoti

  DOI：10.1016/j.ejmech.2014.09.100

  日期：2015.1

  A SAR study was performed on 3-substituted 2,6-difluorobenzamides, known inhibitors of the essential bacterial cell division protein FtsZ, through a series of modifications first of 2,6-difluoro-3-nonyloxybenzamide and then of its 3-pyridothiazolylmethoxy analogue PC190723. The study led to the identification of chiral 2,6-difluorobenzamides bearing 1,4-benzodioxane-2-methyl residue at the 3-position as potent antistaphylococcal compounds. (C) 2014 Elsevier Masson SAS. All rights reserved.