1-(3,5-dimethylphenyl)-2-phenyl-1H-pyrrole | 940959-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(3,5-dimethylphenyl)-2-phenyl-1H-pyrrole
• 英文别名: 1-(3,5-Dimethylphenyl)-2-phenylpyrrole
• CAS: 940959-16-0
• 化学式: C₁₈H₁₇N
• 分子量: 247.34
• InChiKey: DXKGBMXUCHRGBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  N-(but-3-en-1-yl)-3,5-dimethylaniline 、 苯硼酸 在 copper diacetate 、 三乙胺 、 palladium dichloride 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以80%的产率得到1-(3,5-dimethylphenyl)-2-phenyl-1H-pyrrole
  参考文献：
  名称：

  Synthesis of Polysubstituted Pyrroles via Pd-Catalyzed Oxidative Alkene C–H Bond Arylation and Amination

  摘要：

  A novel Pd(II)-catalyzed oxidative approach to construct polysubstituted pyrroles from N-homoallylicamines and arylboronic acids was developed. This transformation is supposed to proceed through cascade formation of C-C and C-N bonds via oxidative arylation of unactive alkenes, followed by intramolecular aza-Wacker cyclization.

  DOI：

  10.1021/jo502414w

文献信息

• Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound
  申请人：Ishikawa Yuji

  公开号：US20070135633A1

  公开（公告）日：2007-06-14

  A process for producing an N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound, the process comprising: reacting a heteroaryl compound having an NH group as a ring-constituting component with a (hetero)aryl compound having a leaving group in the presence of a heterogeneous-system platinum group metal catalyst, a ligand and a base.

  一种生产N-(杂)芳基取代的含氮杂芳基化合物的方法，包括在异质铂族金属催化剂、配体和碱的存在下，将具有NH基团作为环构成组分的杂芳基化合物与具有离去基团的(杂)芳基化合物反应。
• Process for producing N-(Hetero)Aryl-substituted nitrogen-containing heteroaryl compound
  申请人：FUJIFILM FINECHEMICALS CO., LTD.

  公开号：EP1795529A2

  公开（公告）日：2007-06-13

  A process for producing an N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound, the process comprising: reacting a heteroaryl compound having an NH group as a ring-constituting component with a (hetero)aryl compound having a leaving group in the presence of a heterogeneous-system platinum group metal catalyst, a ligand and a base.

  一种生产 N-（杂）芳基取代的含氮杂芳基化合物的工艺，该工艺包括：在异质系铂族金属催化剂、配体和碱存在下，使具有 NH 基作为成环组分的杂芳基化合物与具有离去基团的（杂）芳基化合物反应。
• US7834183B2
  申请人：——

  公开号：US7834183B2

  公开（公告）日：2010-11-16
• Synthesis of Polysubstituted Pyrroles via Pd-Catalyzed Oxidative Alkene C–H Bond Arylation and Amination
  作者：Jia Zheng、Liangbin Huang、Chuyu Huang、Wanqing Wu、Huanfeng Jiang

  DOI：10.1021/jo502414w

  日期：2015.1.16

  A novel Pd(II)-catalyzed oxidative approach to construct polysubstituted pyrroles from N-homoallylicamines and arylboronic acids was developed. This transformation is supposed to proceed through cascade formation of C-C and C-N bonds via oxidative arylation of unactive alkenes, followed by intramolecular aza-Wacker cyclization.