tert-butyl (5-oxo-5-(pyridin-2-yl)pentyl)carbamate | 1250442-09-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl (5-oxo-5-(pyridin-2-yl)pentyl)carbamate
• 英文别名: Tert-butyl (5-oxo-5-pyridin-2-ylpentyl)carbamate；tert-butyl N-(5-oxo-5-pyridin-2-ylpentyl)carbamate
• CAS: 1250442-09-1
• 化学式: C₁₅H₂₂N₂O₃
• 分子量: 278.351
• InChiKey: ZFZUBSBMSASPNE-UHFFFAOYSA-N

物化性质

• 沸点：
  429.2±25.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对氟碘苯 、 tert-butyl (5-oxo-5-(pyridin-2-yl)pentyl)carbamate 在 palladium diacetate 、 caesium carbonate 作用下， 以 均三甲苯 为溶剂， 反应 14.0h， 以38%的产率得到tert-butyl (3-(4-fluorophenyl)-4-oxo-4-(pyridin-2-yl)butyl)carbamate
  参考文献：
  名称：

  Site‐Selective Pd‐Catalyzed C(sp ³ )−H Arylation of Heteroaromatic Ketones

  摘要：

  AbstractA ligand‐controlled site‐selective C(sp3)−H arylation of heteroaromatic ketones has been developed using Pd catalysis. The reaction occurred selectively at the α‐ or β‐position of the ketone side‐chain. The switch from α‐ to β‐arylation was realized by addition of a pyridone ligand. The α‐arylation process showed broad scope and high site‐ and chemoselectivity, whereas the β‐arylation was more limited. Mechanistic investigations suggested that α‐arylation occurs through C−H activation/oxidative addition/reductive elimination whereas β‐arylation involves desaturation and aryl insertion.

  DOI：

  10.1002/chem.202103467
• 作为产物：
  描述：

  2-溴吡啶 、 1-Boc-2-哌啶酮 在 正丁基锂 、 四甲基乙二胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.0h， 以58%的产率得到tert-butyl (5-oxo-5-(pyridin-2-yl)pentyl)carbamate
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME
  [FR] COMPOSÉS HÉTÉROARYLÉS UTILISÉS COMME INHIBITEURS DE CXCR4, COMPOSITION ET PROCÉDÉ D'UTILISATION DE CEUX-CI

  摘要：

  本公开提供了Formula (I)的杂环芳基化合物，其制备方法，含有它们的药物组合物，以及它们在治疗源自或与CXCR4途径相关的疾病和障碍中的应用。

  公开号：

  WO2019060860A1

文献信息

• 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE
  申请人：Fujimura Takashi

  公开号：US20120028990A1

  公开（公告）日：2012-02-02

  A 3-aryl or heteroaryl-substituted indole derivative which is effective as a preventive or remedy for various diseases is provided. [Means for Resolution] A compound represented by a formula (I) or a pharmaceutically acceptable salt thereof is provided. In the formula, R1 represents a hydrogen atom, C1-6 alkyl et al; R2 represents a hydrogen atom, C1-6 alkyl et al; Z represents aryl or heteroaryl (with the proviso that imidazolyl is excluded); and W represents a group represented by the formula (w-1) or (w-2). In the formula, R3 represents C1-6 alkyl et al; Yl and Y2 both represent a hydrogen atom or Y1 and Y2 together form —CH2-CH2-; Q represents CH or N; Ar represents phenyl, furyl et al; R4 and R5 each independently represent a hydrogen atom or C1-6 alkyl or R4 and R5 together with the nitrogen atom form pyrrolidine et al.

  提供了一种3-芳基或杂芳基取代的吲哚衍生物，可作为预防或治疗各种疾病的有效药物。【解决方案】提供了一种由式（I）表示的化合物或其药学上可接受的盐。在该式中，R1表示氢原子，C1-6烷基等；R2表示氢原子，C1-6烷基等；Z表示芳基或杂芳基（但咪唑基除外）；W表示由式（w-1）或（w-2）表示的基团。在该式中，R3表示C1-6烷基等；Y1和Y2均表示氢原子，或Y1和Y2一起形成-CH2- -；Q表示CH或N；Ar表示苯基、呋喃基等；R4和R5各自独立地表示氢原子或C1-6烷基，或R4和R5与氮原子一起形成吡咯烷等。
• HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME
  申请人：Zhang Xiaohu

  公开号：US20200239439A1

  公开（公告）日：2020-07-30

  The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to the CXCR4 pathway.
• [EN] 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE<br/>[FR] DÉRIVÉ D'INDOLE SUBSTITUÉ EN POSITION 3 PAR ARYLE OU HÉTÉROARYLE
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010119984A1

  公开（公告）日：2010-10-21

  A 3-aryl or heteroaryl-substituted indole derivative which is effective as a preventive or remedy for various diseases is provided. [Means for Resolution] A compound represented by a formula (I) or a pharmaceutically acceptable salt thereof is provided. In the formula, R1 represents a hydrogen atom, C1-6 alkyl et al; R2 represents a hydrogen atom, C1-6 alkyl et al; Z represents aryl or heteroaryl (with the proviso that imidazolyl is excluded); and W represents a group represented by the formula (w-1) or (w-2). In the formula, R3 represents C1-6 alkyl et al; Y1 and Y2 both represent a hydrogen atom or Y1 and Y2 together form -CH2-CH2-; Q represents CH or N; Ar represents phenyl, furyl et al; R4 and R5 each independently represent a hydrogen atom or C1-6 alkyl or R4 and R5 together with the nitrogen atom form pyrrolidine et al.