5-(cyclopentylamino)-2-(2,6-diisopropylphenyl)-4,6,7-trifluoroisoindoline-1,3-dione | 1093623-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5-(cyclopentylamino)-2-(2,6-diisopropylphenyl)-4,6,7-trifluoroisoindoline-1,3-dione
• 英文别名: 2-(2,6-diisopropylphenyl)-5-(cyclopenthylamino)-4,6,7-trifluoroisoindoline-1,3-dione；5-(Cyclopentylamino)-2-[2,6-di(propan-2-yl)phenyl]-4,6,7-trifluoroisoindole-1,3-dione
• CAS: 1093623-00-7
• 化学式: C₂₅H₂₇F₃N₂O₂
• 分子量: 444.497
• InChiKey: PAEGSWUTQJLHAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  环戊胺 、 4,5,6,7-tetrafluoro 2-(2,6-diisopropylphenyl)-1H-isoindole-1,3-dione 在 1-甲基-4-哌啶醇 作用下， 以 水 、 甲苯 为溶剂， 反应 60.0h， 以48%的产率得到4-(cyclopentylamino)-2-(2,6-diisopropylphenyl)-5,6,7-trifluoroisoindoline-1,3-dione
  参考文献：
  名称：

  全氟邻苯二甲酰亚胺核心上的高度区域选择性的4-羟基-1-甲基哌啶介导的芳香亲核取代

  摘要：

  在以伯胺或仲胺为输入的全氟化邻苯二甲酰亚胺的组装物中，开发了叔胺介导的高度区域选择性芳族亲核取代（S N Ar）方案。1-甲基-4-羟基哌啶作为添加剂的应用，促进了较不受欢迎的生物活性区域异构体的形成，将其比例从最初的8–36％更改为81–91％。优化后，完成了简便的克级合成，并以高达63％的收率分离了所需的类似物。

  DOI：

  10.1016/j.jfluchem.2018.05.011

文献信息

• WO2008/155594
  申请人：——

  公开号：——

  公开（公告）日：——
• PHTHALIMIDE DERIVATIVES THAT INFLUENCE CELLULAR VESICULAR SYSTEMS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF
  申请人：Puskas Laszlo

  公开号：US20100184762A1

  公开（公告）日：2010-07-22

  The present invention relates to compounds that are suitable for treatment of disease states and influence cellular vesicular systems, especially the formation and/or function of lipid droplets, said compound having the general formula I (I) wherein X are each independently hydrogen, halogen, —C 1-20 -alkyl, —C 2-20 -alkenyl, —C 2-20 -alkinyl, —C 5-6 -cykloalkyl, aryl, aralkyl, adamantyl, heterocyclic, hydroxyl, hydroxyalkyl, Or —N—(R 1 , R 2 ) group; n is 0, 1, 2, 3, or 4; R 1 and R 2 may each be independently hydrogen, straight or branching alkyl, cyclo-alkyl, aryl, aralkyl, heterocyclic group, wherein each is un-substituted or halogen substituted; or R 1 and R 2 together with the nitrogen in between them form a 5 or 6 member ring; A is a single bond, —O—, —S—, —CH2-, or —NH—; Y is O or S; Z is O or S; R′ and R″ are each independently methyl, ethyl, isopropyl, isobuthyl, sec-butyl or terc-butyl; with the restriction that: X(n) cannot all be fluorine, and A be a single bond, and Y, as well as Z be O, and R′, as well as R″ be isopropyl, and R 1 and R 2 be hydrogen at the same time. The present invention further relates to pharmaceutical compositions comprising such compounds and to use of such compounds for treatment of disease states.
• US8232299B2
  申请人：——

  公开号：US8232299B2

  公开（公告）日：2012-07-31