2-amino-4-(4-bromophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile | 1099640-03-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-amino-4-(4-bromophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile
• 英文别名: 2-amino-4-(4-bromophenyl)-5-oxo-6,7-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
• CAS: 1099640-03-5
• 化学式: C₁₅H₁₁BrN₂O₂
• 分子量: 331.169
• InChiKey: XNVWBCYSKAXDPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-4-(4-bromophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile 、 碘苯二乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 以90%的产率得到
  参考文献：
  名称：

  Facile synthesis of functionalized 6-cyano-2-oxa-7-azabicyclo[4.1.0]hept-3-en-1-yl acetates: a catalyst free approach to access the pyran fused 2-acetoxy-NH-aziridines

  摘要：

  通过在无催化剂环境下使用碘苯二乙酸酯，将4-H-吡喃和螺环吡喃的恩胺片段反应构建了新型的吡喃融合2-乙氧基-NH-环氧乙烷骨架。

  DOI：

  10.1039/c5ra24510a
• 作为产物：
  描述：

  1,3-环戊二酮 、 2-[((4-溴苯基)亚甲基]丙二腈 反应 3.5h， 生成 2-amino-4-(4-bromophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile
  参考文献：
  名称：

  Design and an efficient synthesis of natural product-based cyclopenta[b]pyran derivatives with potential bioactivity

  摘要：

  A series of 4-aryl-cyclopenta[b]pyran derivatives, designed based on natural product scaffold, were synthesized efficiently via multi-component reaction under solvent-free and catalyst-free conditions. This chemistry provides a new compound library with potential activity for biomedical screening. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.076

文献信息

• Base free synthesis of iron oxide supported on boron nitride for the construction of highly functionalized pyrans and spirooxindoles
  作者：Aniruddha Molla、Sahid Hussain

  DOI：10.1039/c5ra21969h

  日期：——

  BN@Fe₃O₄ network was synthesized via chemical reduction followed by aerial oxidation in absence of base and was subsequently used for the synthesis of highly functionalized pyrans and spirooxindoles derivatives on water.

  BN@Fe₃O₄网络是通过化学还原后在无碱的条件下进行空气氧化合成的，并随后用于在水中合成高度功能化的吡喃和螺环氧吲哚衍生物。
• Multicomponent domino reactions: borax catalyzed synthesis of highly functionalised pyran-annulated heterocycles
  作者：Aniruddha Molla、Ezaz Hossain、Sahid Hussain

  DOI：10.1039/c3ra43514h

  日期：——

  A collection of pyrano[3,2-c] chromene, 4H-chromene and 4H-pyran were synthesized in excellent yield employing an innocuous, inexpensive and naturally occurring borax-catalyzed multicomponent domino reaction. The present protocol offers advantages in terms of higher yields, short reactions time and no workup and no column chromatography.

  利用一种无害、廉价和天然存在的硼砂催化多组分多米诺反应，合成了一系列吡喃并[3,2-c] 色烯、4H-色烯和 4H-吡喃，收率极高。本方案具有产率高、反应时间短、无需操作和柱层析等优点。
• [EN] OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS<br/>[FR] DÉRIVÉS DE DIHYDROPYRIDINE, DIHYDROPYRIMIDINE ET DIHYDROPYRANE FACULTATIVEMENT CONDENSÉS AGISSANT COMME BLOQUEURS DES CANAUX CALCIQUES TARDIFS
  申请人：CV THERAPEUTICS INC

  公开号：WO2009006580A1

  公开（公告）日：2009-01-08

  The present invention relates to novel heterocyclic compounds and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula (I): wherein Q1, Q2, R2, R3, R4, R5, and R6 are as described herein. The invention also relates to methods for the preparation of the compounds, and to pharmaceutical compositions containing such compounds.