3,4,5-trichloro-pyrrole-2-carboxylic acid | 1111085-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,4,5-trichloro-pyrrole-2-carboxylic acid
• 英文别名: 3,4,5-Trichlor-pyrrol-2-carbonsaeure；3,4,5-trichloro-1H-pyrrole-2-carboxylic acid
• CAS: 1111085-36-9
• 化学式: C₅H₂Cl₃NO₂
• 分子量: 214.435
• InChiKey: LMXSZWFRGRIPQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4,5-trichloro-pyrrole-2-carboxylic acid 、 5-(3-(2,4-dimethoxybenzylamino)prop-1-ynyl)-2-fluorobenzonitrile 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  A novel base-mediated intramolecular hydroamination to build fused heteroaryl pyrazinones

  摘要：

  Functionalized fused heteroaryl pyrazinones were built up through a novel DBU-catalyzed intramolecular hydroamination reaction of aryl(prop-2-yn-1-yl)-1H-heteroaryl-2-carboxamides. The nucleophilic addition afforded three isomers; two with an exo-cyclic double bond [cis (Z), trans (E)], and a third one with an endo-cyclic double bond. After the carboxamide deprotection, isomerization of the mixture under acidic conditions resulted in a unique isomer. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.116
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 3,4,5-trichloro-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  Ciamician; Danesi, Gazzetta Chimica Italiana, 1882, vol. 12, p. 37

  摘要：

  DOI：

文献信息

• US3966739A
  申请人：——

  公开号：US3966739A

  公开（公告）日：1976-06-29
• A novel base-mediated intramolecular hydroamination to build fused heteroaryl pyrazinones
  作者：Laura Llauger、Costanza Bergami、Olaf D. Kinzel、Samuele Lillini、Giovanna Pescatore、Caterina Torrisi、Philip Jones

  DOI：10.1016/j.tetlet.2008.10.116

  日期：2009.1

  Functionalized fused heteroaryl pyrazinones were built up through a novel DBU-catalyzed intramolecular hydroamination reaction of aryl(prop-2-yn-1-yl)-1H-heteroaryl-2-carboxamides. The nucleophilic addition afforded three isomers; two with an exo-cyclic double bond [cis (Z), trans (E)], and a third one with an endo-cyclic double bond. After the carboxamide deprotection, isomerization of the mixture under acidic conditions resulted in a unique isomer. (C) 2008 Elsevier Ltd. All rights reserved.
• Ciamician; Danesi, Gazzetta Chimica Italiana, 1882, vol. 12, p. 37
  作者：Ciamician、Danesi

  DOI：——

  日期：——