5-amino-2H-1,3-benzodioxol-2-one | 1446195-04-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-amino-2H-1,3-benzodioxol-2-one
• 英文别名: 5-amino-1,3-benzodioxol-2-one
• CAS: 1446195-04-5
• 化学式: C₇H₅NO₃
• 分子量: 151.122
• InChiKey: ANRWNFHZWJKBQA-UHFFFAOYSA-N

物化性质

• 沸点：
  283.6±19.0 °C(Predicted)
• 密度：
  1.520±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-amino-2H-1,3-benzodioxol-2-one 、 ethylenedithiotetrathiafulvalene acid chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以64%的产率得到4,5-ethylenedithio-tetrathiafulvalene-1-amidobenzocarbonate
  参考文献：
  名称：

  Catechol-appended TTF derivatives

  摘要：

  EDT-TTF-CONHCatOH, a catechol-appended TTF derivative, 5 was synthesized through a straightforward strategy. The electronic absorption and the electrochemical investigations as well as molecular orbital calculations for compounds 4 and 5 have been performed. The electrochemical measurements of 5 indicate that it is a suitable candidate for the formation of zwitterionic molecular solids and also two-component radical cation salts. The crystal structure of compound 5 reveals supramolecular dimers assembled via a set of O-H center dot center dot center dot O hydrogen bonds between the catechol and amide units. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.060
• 作为产物：
  描述：

  o-(4-nitrophenylene) carbonate 在 platinum(IV) oxide 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以92%的产率得到5-amino-2H-1,3-benzodioxol-2-one
  参考文献：
  名称：

  Catechol-appended TTF derivatives

  摘要：

  EDT-TTF-CONHCatOH, a catechol-appended TTF derivative, 5 was synthesized through a straightforward strategy. The electronic absorption and the electrochemical investigations as well as molecular orbital calculations for compounds 4 and 5 have been performed. The electrochemical measurements of 5 indicate that it is a suitable candidate for the formation of zwitterionic molecular solids and also two-component radical cation salts. The crystal structure of compound 5 reveals supramolecular dimers assembled via a set of O-H center dot center dot center dot O hydrogen bonds between the catechol and amide units. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.060

文献信息

• [EN] MALEIMIDE COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] COMPOSÉS DE MALÉIMIDE ET MÉTHODES DE TRAITEMENT
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2013020024A2

  公开（公告）日：2013-02-07

  The invention generally relates to nuclear transport modulators, e.g., CRM1 inhibitors, and more particularly to a compound represented by formula (I): or a pharmaceutically acceptable salt thereof, wherein R, A and B are as defined and described herein. The invention also includes the synthesis and use of a compound of structural formula I, or a pharmaceutically acceptable salt or composition thereof, e.g., treatment, modulation and/or prevention of physiological conditions associated with CRM1 activity.