N-butyl-7-hydroxy-4-oxo-4H-chromene-2-carboxamide | 862993-26-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-butyl-7-hydroxy-4-oxo-4H-chromene-2-carboxamide
• 英文别名: 7-hydroxy-4-oxo-4H-chromen-2-carboxylic acid butylamide；N-butyl-7-hydroxy-4-oxochromene-2-carboxamide
• CAS: 862993-26-8
• 化学式: C₁₄H₁₅NO₄
• 分子量: 261.277
• InChiKey: DXCMTEGYWDOKHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 在 sodium ethanolate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 1.17h， 生成 N-butyl-7-hydroxy-4-oxo-4H-chromene-2-carboxamide
  参考文献：
  名称：

  Chromone derivatives which bind to human hair

  摘要：

  Chromone derivatives bearing a quaternary ammonium functionality which bind to human hair were synthesised. The radical scavenging activity, according to the DPPH assay, of the chromone derivatives is considerably lower compared with flavonoids. The compounds show interesting UV absorption properties that depend on the position of a methoxy substituent. A bathochromic shift of 29 nm was observed when the methoxy group on the ammonium salts were shifted from position 7 to position 6. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.081

文献信息

• WO2006/94601
  申请人：——

  公开号：——

  公开（公告）日：——
• CHROMEN-4-ON-DERIVATE
  申请人：Merck Patent GmbH

  公开号：EP1856084A1

  公开（公告）日：2007-11-21
• [DE] CHROMEN-4-ON-DERIVATE<br/>[EN] CHROMEN-4-ONE DERIVATIVES<br/>[FR] DERIVES DE CHROMENE-4-ONE
  申请人：MERCK PATENT GMBH

  公开号：WO2006094601A1

  公开（公告）日：2006-09-14

  [EN] The invention relates to chromen-4-one derivatives, the production thereof, and the use of the same for the care, preservation or improvement of the general state of the skin or especially the hair, and for the prophylaxis of time-induced and/or light-induced ageing processes of the human skin or especially human hair. The invention also relates to preparations with an active content of such chromen-4-one derivatives.
  [FR] La présente invention concerne des dérivés de chromène-4-one, leur production et leur utilisation pour traiter, conserver ou améliorer l'état général de la peau ou en particulier des cheveux et pour prévenir contre les processus de vieillissement dus au temps et/ou à la lumière de la peau chez l'homme, en particulier des cheveux chez l'homme. Cette invention concerne également des préparations comprenant une teneur efficace en dérivés de chromène-4-one de ce type.
  [DE] Die vorliegende Erfindung betrifft Chromen-4-on-Derivate, ihre Herstellung und Verwendung zur Pflege, Konservierung oder Verbesserung des allgemeinen Zustandes der Haut oder insbesondere der Haare und zur Prophylaxe gegen zeit- und/oder lichtinduzierte Alterungsprozesse der menschlichen Haut oder insbesondere menschlicher Haare. Ferner betrifft die Erfindung Zubereitungen mit einem wirksamen Gehalt an solchen Chromen-4-on-Derivaten.
• Chromone derivatives which bind to human hair
  作者：Thomas Walenzyk、Christophe Carola、Herwig Buchholz、Burkhard König

  DOI：10.1016/j.tet.2005.05.081

  日期：2005.8

  Chromone derivatives bearing a quaternary ammonium functionality which bind to human hair were synthesised. The radical scavenging activity, according to the DPPH assay, of the chromone derivatives is considerably lower compared with flavonoids. The compounds show interesting UV absorption properties that depend on the position of a methoxy substituent. A bathochromic shift of 29 nm was observed when the methoxy group on the ammonium salts were shifted from position 7 to position 6. (c) 2005 Elsevier Ltd. All rights reserved.