(4-Allyloxy-phenyl)-(4-fluoro-phenyl)-methanone | 194792-72-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-Allyloxy-phenyl)-(4-fluoro-phenyl)-methanone
• 英文别名: (4-Fluorophenyl)[4-(2-propen-1-yloxy)phenyl]methanone；(4-fluorophenyl)-(4-prop-2-enoxyphenyl)methanone
• CAS: 194792-72-8
• 化学式: C₁₆H₁₃FO₂
• 分子量: 256.276
• InChiKey: JNGPPOYMJYYSJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-Allyloxy-phenyl)-(4-fluoro-phenyl)-methanone 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 potassium iodide 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 邻二氯苯 、 乙腈 为溶剂， 110.0~250.0 ℃ 、303.98 kPa 条件下， 生成 (4-{3-[4-(4-Fluoro-benzoyl)-2-propyl-phenoxy]-propoxy}-indol-1-yl)-acetic acid methyl ester
  参考文献：
  名称：

  Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists:  Design, Synthesis, Structural Biology, and Molecular Docking Studies

  摘要：

  A series of novel indole-based PPAR agonists is described leading to discovery of 10k, a highly potent PPAR pan-agonist. The structural biology and molecular docking studies revealed that the distances between the acidic group and the linker, when a ligand was complexed with PPAR gamma protein, were important for the potent activity. The hydrophobic tail part of 10k makes intensive hydrophobic interaction with the PPAR gamma protein resulting in potent activity.

  DOI：

  10.1021/jm0510373
• 作为产物：
  描述：

  4-氟-4'-羟基二苯甲酮 、 3-溴丙烯 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 生成 (4-Allyloxy-phenyl)-(4-fluoro-phenyl)-methanone
  参考文献：
  名称：

  Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists:  Design, Synthesis, Structural Biology, and Molecular Docking Studies

  摘要：

  A series of novel indole-based PPAR agonists is described leading to discovery of 10k, a highly potent PPAR pan-agonist. The structural biology and molecular docking studies revealed that the distances between the acidic group and the linker, when a ligand was complexed with PPAR gamma protein, were important for the potent activity. The hydrophobic tail part of 10k makes intensive hydrophobic interaction with the PPAR gamma protein resulting in potent activity.

  DOI：

  10.1021/jm0510373

文献信息

• PHOTOCHROMIC MATERIALS
  申请人：Tomasulo Massimiliano

  公开号：US20110108781A1

  公开（公告）日：2011-05-12

  The present invention relates to photochromic materials that include a photochromic compound that includes a photochromic substituent (e.g., an indeno-fused naphthopyran) and at least one pendent silane group, which is bonded to the photochromic substituent. The pendent silane groups are selected from certain pendent siloxy-silane groups and/or pendent alkoxy-silane groups represented by general formulas (I) and/or (II) as described in further detail herein. The present invention also relates to photochromic articles, such as photochromic optical elements (e.g., photochromic lenses), and photochromic coating compositions (e.g., curable photochromic coating compositions), that include the photochromic materials of the present invention. The photochromic materials of the present invention have improved compatibility with compositions into which they may be incorporated, for example, coating compositions, such as urethane coating compositions.

  本发明涉及包括具有光致变色取代基（例如，吲哚并环戊基吡喃）和至少一个侧基硅烷基的光致变色化合物的光致变色材料。侧基硅烷基从描述的通用式（I）和/或（II）表示的某些侧基硅氧烷基和/或侧基烷氧基中选择。本发明还涉及光致变色物品，例如光致变色光学元件（例如，光致变色透镜）和光致变色涂层组合物（例如，可固化的光致变色涂层组合物），其中包括本发明的光致变色材料。本发明的光致变色材料与可能加入其中的组合物（例如，涂层组合物，例如脲基涂层组合物）具有改进的相容性。
• EP0888278A4
  申请人：——

  公开号：EP0888278A4

  公开（公告）日：1999-06-30
• ANTIDIABETIC AGENTS
  申请人：MERCK & CO., INC.

  公开号：EP0888278A1

  公开（公告）日：1999-01-07
• US8518305B2
  申请人：——

  公开号：US8518305B2

  公开（公告）日：2013-08-27
• [EN] ANTIDIABETIC AGENTS<br/>[FR] AGENTS ANTI-DIABETE
  申请人：MERCK & CO., INC.

  公开号：WO1997028115A1

  公开（公告）日：1997-08-07

  (EN) The instant invention is concerned with acetylphenols which are useful as antiobesity and antidiabetic compounds. Compositions and methods for the use of the compounds in the treatment of diabetes and obesity and for lowering or modulating triglyceride levels and cholesterol levels or raising high density lipoprotein levels or for increasing gut motility or for treating atherosclerosis are also disclosed.(FR) L'invention concerne des acétylphénols utiles comme composés anti-obésité et anti-diabète. Sont également décrites des compositions et des méthodes d'utilisation de ces composés destinées au traitement du diabète et de l'obésité, servant à abaisser ou à moduler les taux de triglycérides et de cholestérol ou à élever les taux de lipoprotéines haute densité ou à accélérer le transit intestinal, ou à traiter l'athérosclérose.