1-(2-羟基-4,6-二甲氧基苯基)-2-(4-甲氧基苯基)乙酮 | 39604-68-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 1-(2-羟基-4,6-二甲氧基苯基)-2-(4-甲氧基苯基)乙酮
• 中文别名: 2'-羟基-4',6'-二甲氧基-2-(4-甲氧基苯基)乙酰苯；4',6'-二甲氧基-2'-羟基-2(4'-甲氧基苯基苯乙酮)
• 英文名称: 2'-hydroxy-4',6-dimethoxy-2-(p-methoxyphenyl)acetophenone
• 英文别名: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone；2-hydroxy-4,6,4'-trimethoxy-deoxybenzoin；2-Hydroxy-4,6,4'-trimethoxy-desoxybenzoin
• CAS: 39604-68-7
• 化学式: C₁₇H₁₈O₅
• 分子量: 302.327
• InChiKey: ROJOJPXRGHLGTC-UHFFFAOYSA-N

物化性质

• 熔点：
  85.0 to 89.0 °C
• 沸点：
  494.8±40.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲苯
• 最大波长(λmax)：
  286nm(MeOH)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2914509090
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  1-(2-羟基-4,6-二甲氧基苯基)-2-(4-甲氧基苯基)乙酮 在 三溴化硼 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 3-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-2-yl]propanoic acid
  参考文献：
  名称：

  Syntheses of Novel Hapten–Protein Conjugates for Production of Highly Specific Antibodies to Formononetin, Daidzein and Genistein

  摘要：

  The syntheses of novel hapten-carrier protein conjugates are described. Isoflavones functionalised in C2 were coupled to bovine serum albumin or swine thyroglobulin. The antibodies obtained were used for the development of ELISAs (enzyme-linked immunosorbent assays) to measure the three isoflavones with IC50 ranging from 15.6 to 100 ng/mL. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00993-x
• 作为产物：
  描述：

  4,6-dihydroxy-2-(4-methoxyphenyl)benzofuran-3(2H)-one 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 1-(2-羟基-4,6-二甲氧基苯基)-2-(4-甲氧基苯基)乙酮
  参考文献：
  名称：

  Katamna,C., Bulletin de la Societe Chimique de France, 1970, p. 2309 - 2322

  摘要：

  DOI：

文献信息

• A Simple One-Pot Synthesis of Isoflavanones
  作者：Piero Valenti、Federica Belluti、Angela Rampa、Alessandra Bisi

  DOI：10.1080/00397919908085910

  日期：1999.11

  Abstract A new simple one-pot synthesis of isoflavanones 2 by reaction of benzyl 2-hydroxyphenylketones 1 with bis(dimethylamino)methane in boiling ethanol is described.

  摘要 描述了通过苄基 2-羟基苯基酮 1 与双（二甲氨基）甲烷在沸腾乙醇中反应的一种新的简单一锅法合成异黄酮 2。
• Mee et al., Journal of the Chemical Society, 1957, p. 3093,3097
  作者：Mee et al.

  DOI：——

  日期：——
• 616. 3-Aroylcoumarones
  作者：W. B. Whalley、G. Lloyd

  DOI：10.1039/jr9560003213

  日期：——
• 336. The chemistry of the “insoluble red” woods. Part III. The structure of santal and a note on orobol
  作者：Alexander Robertson、C. W. Suckling、W. B. Whalley

  DOI：10.1039/jr9490001571

  日期：——
• Synthesis, crystal structure and antimicrobial activity of deoxybenzoin derivatives from genistein
  作者：Huan-Qiu Li、Jia-Yu Xue、Lei Shi、Shan-Ying Gui、Hai-Liang Zhu

  DOI：10.1016/j.ejmech.2007.05.013

  日期：2008.3

  A series of deoxybenzoin derivatives from genistein were synthesized and their structures were elucidated by H-1 NMR, mass spectral data and micro analyses. The structures of 2, 7 and 10 were determined by single-crystal X-ray analysis. These obtained compounds were evaluated for their assayed antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium. bromide) method. Most compounds have displayed comparable antibacterial activity against bacterial. On the basis of the biological results, structure-activity relationships are discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.