anthracene-9-carboxylic acid isopropylamide | 1007379-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: anthracene-9-carboxylic acid isopropylamide
• 英文别名: N-isopropylanthracene-9-carboxamide；N-propan-2-ylanthracene-9-carboxamide
• CAS: 1007379-03-4
• 化学式: C₁₈H₁₇NO
• 分子量: 263.339
• InChiKey: XRPPOBOPFWKOTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  anthracene-9-carboxylic acid isopropylamide 、 丙烯酸甲酯（MA） 在 tris(acetonitrile)(η5-pentamethylcyclopentadienyl)rhodium(III) hexafluoroantimonate 、 copper(II) acetate monohydrate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以48%的产率得到methyl (E)-3-(9-(isopropylcarbamoyl)anthracen-1-yl)acrylate
  参考文献：
  名称：

  铑（III）催化的定向围-C-H蒽衍生物的烯基化

  摘要：

  据报道，铑（III）催化蒽-9-羧酸衍生物与缺电子烯烃的氧化偶联反应。阳离子铑（III）催化剂与铜（II）氧化剂结合，可促进蒽9-羧酰胺的选择性单烯基化，从而以中等至良好的产率提供1-烯基蒽9-羧酰胺。类似的催化体系也促进了蒽9-羧酸与缺电子烯烃的反应，后者通过C-H烯基化反应和分子内共轭物加成反应提供内酯衍生物。

  DOI：

  10.1021/ol501926b

文献信息

• Conformation of S-shaped aromatic imide foldamers and their induced circular dichroism
  作者：Shigeo Kohmoto、Hiroshi Takeichi、Keiki Kishikawa、Hyuma Masu、Isao Azumaya

  DOI：10.1016/j.tetlet.2007.12.034

  日期：2008.2

  Conformation of aromatic foldamers possessing three aromatic rings in a sequence of anthracene - phenylene - anthracene linked with iminodicarbonyl was examined. Their folding structures were confirmed by single crystal X-ray analysis. Two conformations, straight-zigzag and helically-zigzag conformations, were found depending on the substituents at the imide nitrogen atom. Induced circular dichroism originated in the interaction of the upper and bottom anthracene moieties was observed both in solution and in the solid state. (c) 2007 Elsevier Ltd. All rights reserved.
• NOVEL INHIBITORS OF HISTONE DEACETYLASE 10
  申请人：Deutsches Krebsforschungszentrum

  公开号：US20220151962A1

  公开（公告）日：2022-05-19

  The present invention relates to novel inhibitors of histone deacetylase 10 (HDAC10), novel pharmaceutical compositions comprising such inhibitors, and to novel methods of treating diseases, such as cancer, autoimmune disorders or neurodegeneration, using such novel inhibitors or methods of using such novel inhibitors in organ transplantation.