N-(2,3,5,6,8,9-hexahydro-1,4,7,10-tetraoxabenzocyclododecen-12-yl)acetamide | 296279-67-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2,3,5,6,8,9-hexahydro-1,4,7,10-tetraoxabenzocyclododecen-12-yl)acetamide
• 英文别名: 4'-N-acetylaminobenzo-12-crown-4；N-(2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-YL)acetamide；N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
• CAS: 296279-67-9
• 化学式: C₁₄H₁₉NO₅
• mdl: MFCD00429253
• 分子量: 281.309
• InChiKey: HUSXBXDQVDJCGK-UHFFFAOYSA-N

物化性质

• 沸点：
  485.3±45.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2,3,5,6,8,9-hexahydro-1,4,7,10-tetraoxabenzocyclododecen-12-yl)acetamide 在 硫酸 、 碘 、 碘酸 作用下， 以 溶剂黄146 为溶剂， 反应 10.0h， 以65%的产率得到N-(13-iodo-2,3,5,6,8,9-hexahydro-1,4,7,10-tetraoxabenzocyclododecen-12-yl)acetamide
  参考文献：
  名称：

  摘要：

  o-Alkyl derivatives of N-acetylaminobenzo-12-crowns-4 4a-f were prepared by Pd-Cu-catalyzed alkynylation of 5'-N-acetylamino-4'-iodobenzo-12-crown-4 (2). Cyclization of compounds 4a-f afforded the corresponding substituted 5,6-indolo-12-crowns-4 5a-c.

  DOI：

  10.1023/a:1015078217485
• 作为产物：
  描述：

  乙酸酐 、 2,3,5,6,8,9-六氢苯并[B][1,4,7,10]四氧杂环十二碳烯-12-胺 以 苯 为溶剂， 以99%的产率得到N-(2,3,5,6,8,9-hexahydro-1,4,7,10-tetraoxabenzocyclododecen-12-yl)acetamide
  参考文献：
  名称：

  摘要：

  o-Alkyl derivatives of N-acetylaminobenzo-12-crowns-4 4a-f were prepared by Pd-Cu-catalyzed alkynylation of 5'-N-acetylamino-4'-iodobenzo-12-crown-4 (2). Cyclization of compounds 4a-f afforded the corresponding substituted 5,6-indolo-12-crowns-4 5a-c.

  DOI：

  10.1023/a:1015078217485

文献信息

• THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF
  申请人：CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.

  公开号：EP3686204A1

  公开（公告）日：2020-07-29

  The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

  本发明涉及一类噻吩二氮卓衍生物及其在制备治疗与溴多聚酶抑制剂和末端外（BET）溴多聚酶抑制剂相关疾病的药物中的应用。具体地说，本发明涉及由式（I）和（II）代表的化合物及其药学上可接受的盐。
• ——
  作者：S. V. Klyatskaya、E. V. Tretyakov、S. F. Vasilevsky

  DOI：10.1023/a:1015078217485

  日期：——

  o-Alkyl derivatives of N-acetylaminobenzo-12-crowns-4 4a-f were prepared by Pd-Cu-catalyzed alkynylation of 5'-N-acetylamino-4'-iodobenzo-12-crown-4 (2). Cyclization of compounds 4a-f afforded the corresponding substituted 5,6-indolo-12-crowns-4 5a-c.