1-(2-Bromoethyl)-1H-pyrrole-2-carbaldehyde | 400715-78-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Bromoethyl)-1H-pyrrole-2-carbaldehyde
• 英文别名: 1-(2-bromoethyl)pyrrole-2-carbaldehyde
• CAS: 400715-78-8
• 化学式: C₇H₈BrNO
• 分子量: 202.051
• InChiKey: BEFKUWPZFPJIEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  278.3±20.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-Bromoethyl)-1H-pyrrole-2-carbaldehyde 在 碳酸氢钠 、 magnesium sulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 48.0h， 生成 (3S,10bR)-3-phenyl-2,3,5,6-tetrahydro-10bH-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine
  参考文献：
  名称：

  1-取代的1,2,3,4-四氢吡咯并[1,2-a]吡嗪的不对称合成

  摘要：

  1-（2-卤乙基）吡咯-2-甲醛与（1S）-1-苯基甘氨醇或（1S）-缬氨醇的反应生成了相应的稠合三环恶唑烷，为单非对映异构体，其中1,2-二取代的1,2通过添加有机金属试剂获得了3，4-四氢吡咯[1,2- a ]吡嗪。非对映选择性取决于手性助剂和有机金属试剂的性质。通过使用格氏试剂与衍生自（1 S）-苯基甘氨醇的恶唑烷一起使用，可获得最佳的非对映选择性（dr≤98：2）。通过还原性去除N 2-取代基获得（+）-1-甲基-和（+）-1-乙基-1,2,3,4-四氢吡咯[1,2- a ]吡嗪。 不对称合成-非对映选择性-格氏试剂-杂环-恶唑烷-四氢吡咯并吡嗪

  DOI：

  10.1055/s-0030-1258436
• 作为产物：
  描述：

  2-吡咯甲醛 、 1,2-二溴乙烷 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 1-(2-Bromoethyl)-1H-pyrrole-2-carbaldehyde
  参考文献：
  名称：

  氢键键合的级联重排，涉及两个环的扩大：有效获取多环喹啉衍生物。

  摘要：

  描述了一种由色胺衍生的异氰酸酯与C，N-环偶氮甲亚胺的有效级联反应。多环吡咯并[2,3-c]喹啉衍生物得益于氢键驱动的重排过程，可以在无金属和温和条件下以中等到良好的产率（40-87％）直接组装。这种转化涉及四个新的杂环形成，并且独特地是吲哚的开环以及C，N-环偶氮甲亚胺亚胺的环扩展。实验研究和DFT研究都为深入了解反应途径提供了指导，并发现氢键可降低过渡态的自由能垒。这项工作是基于色胺的异氰酸酯级联反应的罕见例子，

  DOI：

  10.1002/anie.202008110

文献信息

• Catalyst-free facile synthesis of polycyclic indole/pyrrole substituted-1,2,3-triazoles
  作者：Jitendra Gour、Srikanth Gatadi、Ravikumar Akunuri、Madhavi Venkata Yaddanapudi、Mushtaq Ahmad Nengroo、Dipak Datta、Sidharth Chopra、Srinivas Nanduri

  DOI：10.1039/c9ob01560d

  日期：——

  azide-alkene cascade reaction under mild reaction conditions has been developed. The reaction is applicable to both indole and pyrrole substrates, and a variety of substituents are tolerated. The entire sequence can be carried out in a one-pot operation. This methodology provides a sustainable and efficient access to a variety of novel polycyclic indole/pyrrole substituted-1,2,3-triazoles.

  已经开发了在温和的反应条件下通过分子内的叠氮化物-烯烃级联反应一般且无催化剂地进入稠合多环N-杂环的方法。该反应适用于吲哚和吡咯底物，并且可以接受多种取代基。整个序列可以一锅操作进行。该方法学提供了对各种新型多环吲哚/吡咯取代的1,2,3-三唑的可持续且有效的获取途径。
• Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine
  申请人：——

  公开号：US20030236254A1

  公开（公告）日：2003-12-25

  Novel &bgr;-aryl-&agr;-substituted propanoic acids having hypolipidemic and hypocholesteremic activities.

  具有降脂和降胆固醇活性的新型β-芳基-α-取代丙酸。
• Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine
  申请人：CADILA HEALTHCARE LIMITED

  公开号：US20030199498A1

  公开（公告）日：2003-10-23

  The present invention relates to novel substituted pyrrole compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel substituted pyrrole compounds of the general formula (I), their analogs, their derivatives, their polymorphs, their tautomeric forms, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and their pharmaceutical compositions containing them. 1 This invention also relates to the process for preparing such compounds, a composition containing such a compound and the use of such a compound and composition in medicine.

  本发明涉及新型取代吡咯化合物，其衍生物，类似物，互变异构体，立体异构体，多型体，药学上可接受的盐，药学上可接受的溶剂合物以及含有它们的药学上可接受的组合物。本发明特别涉及一般式（I）的新型取代吡咯化合物，其类似物，衍生物，多型体，互变异构体，药学上可接受的盐，药学上可接受的溶剂合物以及含有它们的药物组合物。本发明还涉及制备这类化合物的方法，含有这类化合物的组合物以及这类化合物和组合物在医学中的用途。
• NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE
  申请人：LOHRAY Braj Bhushan

  公开号：US20080188402A1

  公开（公告）日：2008-08-07

  The present invention relates to novel substituted pyrrole compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel substituted pyrrole compounds of the general formula (I), their analogs, their derivatives, their polymorphs, their tautomeric forms, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and their pharmaceutical compositions containing them. This invention also relates to the process for preparing such compounds, a composition containing such a compound and the use of such a compound and composition in medicine.

  本发明涉及新的取代吡咯化合物、它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组成物。本发明特别涉及一般式（I）的新的取代吡咯化合物、它们的类似物、衍生物、多晶形态、互变异构体、药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组成物。本发明还涉及制备这种化合物的过程、含有这种化合物的组成物以及这种化合物和组成物在医学上的使用。
• Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine
  申请人：Lohray Bhushan Braj

  公开号：US20070238776A1

  公开（公告）日：2007-10-11

  The present invention relates to novel substituted pyrrole compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel substituted pyrrole compounds of the general formula (I), their analogs, their derivatives, their polymorphs, their tautomeric forms, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and their pharmaceutical compositions containing them. The invention also relates to the process for preparing such compounds, a composition containing such a compound and the use of such a compound and composition in medicine. The compounds lower triglyceride levels in blood and may be useful in the treatment of obesity, hyperlipidaemia, hypercholesteremia, syndrome X and diabetes.

  本发明涉及新型取代吡咯化合物，其衍生物，类似物，互变异构体，立体异构体，多晶形态，其药学上可接受的盐，其药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明特别涉及一般式(I)的新型取代吡咯化合物，其类似物，衍生物，多晶形态，互变异构体，药学上可接受的盐，药学上可接受的溶剂和含有它们的药物组合物。本发明还涉及制备这种化合物的过程，含有这种化合物的组合物以及在医学中使用这种化合物和组合物。这些化合物可以降低血液中的三酰甘油水平，并可能在肥胖症，高脂血症，高胆固醇血症，X综合症和糖尿病的治疗中有用。