1-(2-叔丁基苯基)吡咯烷-2,5-二酮 | 210426-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-(2-叔丁基苯基)吡咯烷-2,5-二酮
• 英文名称: 1-(2-tert-butylphenyl)-pyrrolidine-2,5-dione
• 英文别名: 1-(2-Tert-butylphenyl)pyrrolidine-2,5-dione
• CAS: 210426-64-5
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: CIBSFDWYFFHZRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-叔丁基苯基)吡咯烷-2,5-二酮 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到1-(2-tert-butylphenyl)-5-hydroxypyrrolidin-2-one
  参考文献：
  名称：

  Godfrey, Christopher R. A.; Simpkins, Nigel S.; Walker, Matthew D., Synlett, 2000, # 3, p. 388 - 390

  摘要：

  DOI：
• 作为产物：
  描述：

  2-叔丁基苯胺 在 sodium acetate 、 乙酸酐 作用下， 以 甲苯 为溶剂， 生成 1-(2-叔丁基苯基)吡咯烷-2,5-二酮
  参考文献：
  名称：

  Stereoselectivity in reactions of atropisomeric lactams and imides

  摘要：

  A range of reactions of cyclic lactam systems is described in which an atropisomeric C-N axis controls the stereochemical outcome of ring substitution or addition. In the case of enantiopure menthol adducts, substitution via N-acyliminium intermediates occurred with essentially complete control. However, the range of nucleophiles that participate in the reaction is very limited and at present the removal of the N-aryl substituent is problematic. A six-membered enamide is of moderate configurational stability and the axis exerts synthetically useful levels of control over enolate alkylations of the system. A novel Lewis acid mediated enamide arylation process was identified. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.01.100

文献信息

• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• Sterically Controlled, Palladium-Catalyzed Intermolecular Amination of Arenes
  作者：Ruja Shrestha、Paramita Mukherjee、Yichen Tan、Zachary C. Litman、John F. Hartwig

  DOI：10.1021/ja4032677

  日期：2013.6.12

  the Pd-catalyzed amination of arenes to form N-aryl phthalimides with regioselectivity controlled predominantly by steric effects. Mono-, di-, and trisubstituted arenes lacking a directing group undergo amination reactions with moderate to high yields and high regioselectivities from sequential addition of PhI(OAc)2 as an oxidant in the presence of Pd(OAc)2 as catalyst. This sterically derived selectivity

  我们报告了 Pd 催化的芳烃胺化形成 N-芳基邻苯二甲酰亚胺，其区域选择性主要受空间效应控制。在 Pd(OAc) 2 作为催化剂的存在下，连续加入作为氧化剂的 PhI(OAc) 2 后，缺乏导向基团的单、二和三取代的芳烃可以进行中等至高产率和高区域选择性的胺化反应。这种空间衍生的选择性与类似的芳烃乙酰氧基化形成对比。
• A novel asymmetric route to succinimides and derived compounds: synthesis of the lignan lactone (+)-hinokinin
  作者：D. Jonathan Bennett、Paula L. Pickering、Nigel S. Simpkins

  DOI：10.1039/b403193h

  日期：——

  A novel approach to chiral succinimides and derived compounds has been developed that involves chiral lithium amide desymmetrisation of an N-ortho-tert-butylphenyl succinimide to generate a putative atropisomeric intermediate enolate, alkylation of which enables access to the lignan lactone (+)-hinokinin.

  已开发出一种新的手性琥珀酰亚胺及其衍生化合物的方法，该方法涉及对N-邻叔丁基苯基琥珀酰亚胺的手性锂酰胺脱对称，以生成推定的阻转异构中间体烯醇盐，其烷基化使得能够接近木脂酸内酯（+）-日激肽。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130165442A1

  公开（公告）日：2013-06-27

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜电导调节器、其组成物以及使用它们的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。
• Modulators of ATP-binding cassette transporters
  申请人：Van Goor Fredrick

  公开号：US08354427B2

  公开（公告）日：2013-01-15

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜导电调节因子、其组合物以及使用这些调节剂的方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。