2-methyl-3-phenoxy-7-acetoxychromone | 137460-60-7

• 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: 2-methyl-3-phenoxy-7-acetoxychromone
• 英文别名: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-methyl-3-phenoxy-；(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
• CAS: 137460-60-7
• 化学式: C₁₈H₁₄O₅
• 分子量: 310.306
• InChiKey: GSHNBUJWHGCPFS-UHFFFAOYSA-N

物化性质

• 沸点：
  438.7±45.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-3-phenoxy-7-acetoxychromone 在 盐酸 作用下， 以 乙醇 为溶剂， 以72%的产率得到7-羟基-2-甲基-3-苯氧基-4H-苯并吡喃-4-酮
  参考文献：
  名称：

  Synthesis and biological properties of 3-phenoxchromones and 3-phenoxy-4-hydroxy-7-methoxycoumarin

  摘要：

  DOI：

  10.1007/bf00772001
• 作为产物：
  描述：

  苯氧乙酸 在 氯化亚砜 、 三氟化硼乙醚 、 sodium acetate 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.0h， 生成 2-methyl-3-phenoxy-7-acetoxychromone
  参考文献：
  名称：

  Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA₂), UCM-14216, Ameliorates Spinal Cord Injury in Mice

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c00046

文献信息

• Synthesis and biological properties of 3-phenoxchromones and 3-phenoxy-4-hydroxy-7-methoxycoumarin
  作者：S. A. Vasil'ev、M. S. Luk'yanchikov、G. I. Molchanov、V. D. Turubarov、V. P. Khilya

  DOI：10.1007/bf00772001

  日期：1991.7
• BENZOPYRAN DERIVATIVES AND USES THEREOF
  申请人：Novation Pharmaceuticals Inc.

  公开号：US20220016071A1

  公开（公告）日：2022-01-20

  The present disclosure provides for compounds useful for the treatment or prevention of disorders with an etiology associated with or comprising excessive cytokine or chemokine release. The compounds are also useful for the treatment of cancer, inflammatory disorders and disorders associated with an increased stability or translation of mRNA which has an mRNA instability sequence.
• [EN] BENZOPYRAN DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE BENZOPYRANE ET UTILISATIONS ASSOCIÉES
  申请人：NOVATION PHARMACEUTICALS INC

  公开号：WO2017027973A1

  公开（公告）日：2017-02-23

  The present disclosure provides for compounds useful for the treatment or prevention of disorders with an etiology associated with or comprising excessive cytokine or chemokine release. The compounds are also useful for the treatment of cancer, inflammatory disorders and disorders associated with an increased stability or translation of mRNA which has an mRNA instability sequence.
• Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA₂), UCM-14216, Ameliorates Spinal Cord Injury in Mice
  作者：Nora Khiar-Fernández、Debora Zian、Henar Vázquez-Villa、R. Fernando Martínez、Andrea Escobar-Peña、Román Foronda-Sainz、Manisha Ray、Maria Puigdomenech-Poch、Giovanni Cincilla、Melchor Sánchez-Martínez、Yasuyuki Kihara、Jerold Chun、Rubèn López-Vales、María L. López-Rodríguez、Silvia Ortega-Gutiérrez

  DOI：10.1021/acs.jmedchem.2c00046

  日期：2022.8.25