2-(4-bromobenzoyl)-4,6-dimethoxy-3-methyl-benzofuran | 180406-41-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-bromobenzoyl)-4,6-dimethoxy-3-methyl-benzofuran
• 英文别名: 2-(4-Bromobenzoyl)-4,6-dimethoxy-3-methyl-1-benzofuran；(4-Bromophenyl)(4,6-dimethoxy-3-methyl-1-benzofuran-2-YL)methanone；(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone
• CAS: 180406-41-1
• 化学式: C₁₈H₁₅BrO₄
• 分子量: 375.219
• InChiKey: LTDQGCFMTVHZKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-羟基-4,6-二甲氧基苯乙酮 、 2,4'-二溴苯乙酮 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以82%的产率得到2-(4-bromobenzoyl)-4,6-dimethoxy-3-methyl-benzofuran
  参考文献：
  名称：

  Synthesis and Analgesic Activity of Some 1-Benzofurans, 1-Benzothiophenes and Indoles

  摘要：

  3-未取代的1-苯并呋喃1e和1f，3-甲基-1-苯并呋喃1a-1d，以及3-氨基-1-苯并呋喃2a-2l，以及3-氨基-1-苯并噻吩3a，3b和3-氨基吲哚4a-4f，11a和11b被制备并作为镇痛药进行测试。3-氨基-1-苯并呋喃2是从相应的2-羟基苯甲腈5和苯乙酮溴化物6经过中间体7制备的。对2-硫代基苯甲腈（8）的类似处理提供了3-氨基-1-苯并噻吩3。适当取代的2-氨基苯甲腈9然后提供了N-取代的3-氨基吲哚4。1-(乙氧羰基)吲哚4e和4f成功脱保护，分别给出吲哚11a和11b。

  DOI：

  10.1135/cccc20000280

文献信息

• Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation
  申请人：——

  公开号：US20040209959A1

  公开（公告）日：2004-10-21

  The present invention relates to new analgesic, antipyretic and/or anti-inflammatory compounds represented by the general formula X—Y, in which X is a benzyl group, a saturated or unsaturated cycloalkyl group (I,II) or a non-cyclic, straight or branched alkyl group (III,IV).

  本发明涉及通式 X-Y 所代表的新型镇痛、解热和/或消炎化合物，其中 X 是苄基、饱和或不饱和环烷基（I,II）或非环状、直链或支链烷基（III,IV）。
• Synthesis of xanthoxyline derivatives with antinociceptive and antioedematogenic activities
  作者：V Cechinel-Filho、ZR Vaz、L Zunino、JB Calixto、RA Yunes

  DOI：10.1016/0223-5234(96)83978-x

  日期：1996.1
• [EN] CONGENERS OF ACETAMINOPHEN AND RELATED COMPOUNDS AS SUBSTRATES FOR FATTY ACID CONJUGATION AND THEIR USE IN TREATMENT OF PAIN, FEVER AND INFLAMMATION<br/>[FR] SUBSTANCES ORGANOLEPTIQUES D'ACETAMINOPHENE ET COMPOSES ASSOCIES UTILISES COMME SUBSTRATS POUR CONJUGAISON D'ACIDES GRAS ET UTILISATION DE CES SUBSTANCES DANS LE TRAITEMENT DE LA DOULEUR, DE LA FIEVRE ET DES INFLAMMATIONS
  申请人：HOEGESTAETT EDWARD

  公开号：WO2003007875A2

  公开（公告）日：2003-01-30

  The present invention relates to new analgesic, antipyretic and/or anti-inflammatory compounds represented by the general formula X - Y, in which X is a benzyl group, a saturated or unsaturated cycloalkyl group (I,II) or a non-cyclic, straight or branched alkyl group (III,IV).
• [EN] FATTY ACID CONJUGATION AS A METHOD FOR SCREENING OF POTENTIALLY BIOACTIVE SUBSTANCES<br/>[FR] CONJUGAISON D'ACIDES GRAS EN TANT QUE METHODE DE CRIBLAGE DE SUBSTANCES POTENTIELLEMENT BIOACTIVES
  申请人：HOEGESTAETT EDWARD

  公开号：WO2003008632A1

  公开（公告）日：2003-01-30

  The present invention relates to a method for screening of compounds or molecules that undergo conjugation with fatty acids present in a mammal body, including humans, whereby a compound to be tested is brought into contact with a fatty acid together with a tissue homogenate or an enzyme, whereupon any conjugation between the compound and any fatty acid present in said homogenate is determined with regard to presence of fatty acid amides, esters or thioesters, as well as a kit for conjugation of such compounds or molecules with fatty acids.
• [EN] COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY<br/>[FR] SUBSTANCES ORGANOLEPTIQUES D'ACETAMINOPHENE ET COMPOSES ASSOCIES UTILISES COMME SUBSTRATS POUR CONJUGAISON D'ACIDES GRAS ET UTILISATION DE CES SUBSTANCES DANS LE TRAITEMENT DE LA DOULEUR, DE LA FIEVRE ET DES INFLAMMATIONS
  申请人：——

  公开号：WO2003007875A9

  公开（公告）日：2005-03-10

  [EN] The present invention relates to new analgesic, antipyretic and/or anti-inflammatory compounds represented by the general formula X - Y, in which X is a benzyl group, a saturated or unsaturated cycloalkyl group (I,II) or a non-cyclic, straight or branched alkyl group (III,IV).
  [FR] La présente invention concerne de nouveaux composés analgésiques, antipyrétiques et/ou anti-inflammatoires représentés par la formule générale X - Y. Dans cette formule X est un groupe benzyle, un groupe (I, II) cycloalkyle saturé ou non ou un groupe (III,IV) alkyle, linéaire ou ramifié non cyclique.