3-chloro-1-(2,4,6-trihydroxyphenyl)propan-1-one | 1053239-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-chloro-1-(2,4,6-trihydroxyphenyl)propan-1-one
• CAS: 1053239-70-5
• 化学式: C₉H₉ClO₄
• 分子量: 216.621
• InChiKey: JDLRPMMULCEVIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-chloro-1-(2,4,6-trihydroxyphenyl)propan-1-one 在 sodium hydroxide 、 硫酸 作用下， 以 水 为溶剂， 以146 mg的产率得到5,7-二羟基苯并二氢吡喃-4-酮
  参考文献：
  名称：

  A biomimetic synthesis of (−)-ascorbyl phloroglucinol and studies toward the construction of ascorbyl-modified catechin natural products and analogues

  摘要：

  A method for appending the ascorbyl moiety onto the framework of phenolic natural products has been developed. This reaction proceeds in two steps from.-ascorbic acid and employs acetic acid catalysis. Excellent stereoselectivity is observed during C C bond formation between the phenolic compound and dehydroascorbic acid, and the process is also chemoselective for phenol derivatives bearing electron-donating substituents in each of the 1, 3, and 5 positions. Further, good regioselectivity was also observed when phenols lacking an axis of C-2 symmetry were employed. This method has led to the synthesis of (-)-ascorbyl phloroglucinol as well as the tetracyclic core of ascorbyl-modified catechin natural products. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.102
• 作为产物：
  描述：

  3-氯丙酸 、 间苯三酚 在 三氟甲磺酸 作用下， 以 氯仿 、 水 为溶剂， 生成 3-chloro-1-(2,4,6-trihydroxyphenyl)propan-1-one
  参考文献：
  名称：

  USE OF CHROMAN-4-ONE DERIVATIVES

  摘要：

  本发明涉及使用式(I)化合物或包含至少一种式(I)化合物的组合物，其中所述组合物包含如权利要求中所述的基团，用于护理、保护或改善皮肤或头发的整体状态。

  公开号：

  US20100028278A1

文献信息

• VERWENDUNG VON CHROMAN-4-ON-DERIVATEN
  申请人：Merck Patent GmbH

  公开号：EP2120855A2

  公开（公告）日：2009-11-25
• [DE] VERWENDUNG VON CHROMAN-4-ON-DERIVATEN<br/>[EN] USE OF CHROMAN-4-ON-DERIVATIVES<br/>[FR] UTILISATION DE DÉRIVÉS DE CHROMAN-4-ONE
  申请人：MERCK PATENT GMBH

  公开号：WO2008113450A2

  公开（公告）日：2008-09-25

  [EN] The invention relates to the use of compounds of formula (I) or a preparation containing at least one compound of formula (I), with groups as described in the claims, for the care, conservation or improvement of the general state of the skin or hair.
  [FR] Utilisation de composés de formule (I) ou d'une préparation contenant au moins un composé de formule (I), avec des groupes tels qu'ils sont définis dans les revendications, pour entretenir, conserver ou améliorer l'état général de la peau ou des cheveux.
  [DE] Die Erfindung betrifft die Verwendung von Verbindungen der Formel (I) oder einer Zubereitung enthaltend mindestens eine Verbindung der Formel (I), mit Resten, wie in den Ansprüchen beschrieben, zur Pflege, Konservierung oder Verbesserung des allgemeinen Zustandes der Haut oder Haare.
• A biomimetic synthesis of (−)-ascorbyl phloroglucinol and studies toward the construction of ascorbyl-modified catechin natural products and analogues
  作者：Sneha A. Belapure、Zachary G. Beamer、John E. Bartmess、Shawn R. Campagna

  DOI：10.1016/j.tet.2011.09.102

  日期：2011.12

  A method for appending the ascorbyl moiety onto the framework of phenolic natural products has been developed. This reaction proceeds in two steps from.-ascorbic acid and employs acetic acid catalysis. Excellent stereoselectivity is observed during C C bond formation between the phenolic compound and dehydroascorbic acid, and the process is also chemoselective for phenol derivatives bearing electron-donating substituents in each of the 1, 3, and 5 positions. Further, good regioselectivity was also observed when phenols lacking an axis of C-2 symmetry were employed. This method has led to the synthesis of (-)-ascorbyl phloroglucinol as well as the tetracyclic core of ascorbyl-modified catechin natural products. (C) 2011 Elsevier Ltd. All rights reserved.
• USE OF CHROMAN-4-ONE DERIVATIVES
  申请人：Carola Christophe

  公开号：US20100028278A1

  公开（公告）日：2010-02-04

  The invention relates to the use of compounds of the formula (I) or of a composition comprising at least one compound of the formula (I), containing radicals as described in the claims, for the care, preservation or improvement of the general state of the skin or hair.

  本发明涉及使用式(I)化合物或包含至少一种式(I)化合物的组合物，其中所述组合物包含如权利要求中所述的基团，用于护理、保护或改善皮肤或头发的整体状态。