methyl (Z)-[4-[3-(4-fluorophenyl)-3-(4-iodophenyl)allyloxy]-2-methylphenoxy]acetate | 942594-95-8

• 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: methyl (Z)-[4-[3-(4-fluorophenyl)-3-(4-iodophenyl)allyloxy]-2-methylphenoxy]acetate
• 英文别名: methyl 2-[4-[(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-enoxy]-2-methylphenoxy]acetate
• CAS: 942594-95-8
• 化学式: C₂₅H₂₂FIO₄
• 分子量: 532.35
• InChiKey: NTZIPJLMTIGTSR-QRVIBDJDSA-N

物化性质

• 沸点：
  602.7±55.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl (Z)-[4-[3-(4-fluorophenyl)-3-(4-iodophenyl)allyloxy]-2-methylphenoxy]acetate 在 lithium hydroxide 、 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  E/Z Isomerization of 3,3-disubstituted allylic thioethers

  摘要：

  Allylic thioethers of the general structure 1 underwent E/Z isomerization during both basic and acidic hydrolysis of the ester moiety at the remote end of the molecule. The isomerization was dependent on the substitution of the allylic moiety. The presence of a 5-membered heterocycle on the double bond supported the isomerization. However, analogous oxy-ethers were stable. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.164
• 作为产物：
  描述：

  1,4-二碘苯 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 methyl (Z)-[4-[3-(4-fluorophenyl)-3-(4-iodophenyl)allyloxy]-2-methylphenoxy]acetate
  参考文献：
  名称：

  E/Z Isomerization of 3,3-disubstituted allylic thioethers

  摘要：

  Allylic thioethers of the general structure 1 underwent E/Z isomerization during both basic and acidic hydrolysis of the ester moiety at the remote end of the molecule. The isomerization was dependent on the substitution of the allylic moiety. The presence of a 5-membered heterocycle on the double bond supported the isomerization. However, analogous oxy-ethers were stable. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.164

文献信息

• [EN] METHODS OF MAKING A PPAR-DELTA AGONIST<br/>[FR] PROCÉDÉS DE PRÉPARATION D'UN AGONISTE DE PPAR-DELTA
  申请人：RENEO PHARMACEUTICALS INC

  公开号：WO2022115326A1

  公开（公告）日：2022-06-02

  Described herein are methods of making the PPARδ agonist compound (E)-2-(4-((3-(4-fluorophenyl)-3-(4-(3-morpholinoprop-1-yn-1-yl)phenyl)allyl)oxy)-2-methylphenoxy)acetic acid, including salt forms thereof.

  本文描述了制备PPARδ激动剂(E)-2-(4-((3-(4-氟苯基)-3-(4-(3-吗啡啶基丙炔-1-基)苯基)烯丙氧基)-2-甲基苯氧)乙酸及其盐形式的方法。
• NOVEL COMPOUNDS, THEIR PREPARATION AND USE
  申请人：Sauerberg Per

  公开号：US20090093484A1

  公开（公告）日：2009-04-09

  Novel compounds of the general formula (I), the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds are activators of PPARδ and should be useful for treating conditions mediated by the same.

  通式（I）的新化合物，这些化合物的用途为制备药物组合物，该组合物包含这些化合物并且使用这些化合物和组合物的治疗方法。这些化合物是PPARδ激活剂，应该对通过PPARδ介导的疾病有用。
• Compounds, their preparation and use
  申请人：High Point Pharmaceuticals, LLC

  公开号：US07943613B2

  公开（公告）日：2011-05-17

  Novel compounds of the general formula (I), the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds are activators of PPARδ and should be useful for treating conditions mediated by the same.

  本发明涉及一种通式（I）的新化合物，这些化合物可用作药物组合物，药物组合物包括这些化合物，并且使用这些化合物和组合物的治疗方法。这些化合物是PPARδ的激活剂，应该对通过PPARδ介导的病症的治疗有用。
• PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS
  申请人：Sauerberg Per

  公开号：US20110245244A1

  公开（公告）日：2011-10-06

  Novel compounds of the general formula (I), the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds are activators of PPARδ and should be useful for treating conditions mediated by the same.

  一般式（I）的新化合物，这些化合物作为制药组合物的用途，包括这些化合物的制药组合物和使用这些化合物和组合物的治疗方法。这些化合物是PPARδ的激活剂，应该对通过PPARδ介导的疾病治疗有用。
• Phenyl propionic acids as PPAR delta activators
  申请人：Sauerberg Per

  公开号：US08362016B2

  公开（公告）日：2013-01-29

  Novel compounds of the general formula (I), the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds are activators of PPARδ and should be useful for treating conditions mediated by the same.

  本发明涉及一般式(I)的新化合物，这些化合物的用途是作为制药组合物，制药组合物包括这些化合物和使用这些化合物和组合物的治疗方法。这些化合物是PPARδ的激活剂，应该对治疗由PPARδ介导的疾病有用。