4-[4-(1-hydroxy-ethyl)-phenyl]-butyric acid ethyl ester | 1072448-28-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[4-(1-hydroxy-ethyl)-phenyl]-butyric acid ethyl ester
• 英文别名: Ethyl 4-[4-(1-hydroxyethyl)phenyl]butanoate
• CAS: 1072448-28-2
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: NDYNNXPGAAUDGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-ethoxy-4-oxobutylzinc bromide lithium chloride 、 1-(4-溴苯基)-1-乙醇 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以70%的产率得到4-[4-(1-hydroxy-ethyl)-phenyl]-butyric acid ethyl ester
  参考文献：
  名称：

  带有相对酸性质子的不饱和卤化物的钯和镍催化交叉偶联与有机锌试剂。

  摘要：

  多种多官能芳基，杂芳基，烷基和苄基锌试剂与带有酸性NH或OH质子的不饱和芳基卤化物偶合，使用Pd（OAc）2（1 mol％）和S-Phos（2 mol％）作为不需要保护基的催化剂。描述了类似的镍催化反应。还描述了有机锌化合物的相对动力学碱性及其对酸性质子的稳定性。

  DOI：

  10.1021/jo8015852

文献信息

• Compounds containing carbon-carbon linker as GPR120 agonists
  申请人：PIRAMAL ENTERPRISES LIMITED

  公开号：US10941133B2

  公开（公告）日：2021-03-09

  The present invention relates to compound of Formula (I) containing carbon-carbon linker, a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a pharmaceutically acceptable solvate, a prodrug, a polymorph, N-oxide, S-oxide, or a carboxylic acid isostere thereof; processes for their preparation; pharmaceutical compositions comprising said compounds; and their use for the treatment of the diseases or disorders mediated by GPR120 receptor.

  本发明涉及含有碳-碳连接体的式(I)化合物、立体异构体、同分异构体、药学上可接受的盐、药学上可接受的溶解物、原药、多晶型、N-氧化物、S-氧化物或其羧酸异构体；其制备工艺；包含所述化合物的药物组合物；以及它们在治疗由GPR120受体介导的疾病或紊乱中的用途。
• COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS
  申请人：PIRAMAL ENTERPRISES LIMITED

  公开号：US20180030031A1

  公开（公告）日：2018-02-01

  The present invention relates to compound of Formula (I) containing carbon-carbon linker, a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a pharmaceutically acceptable solvate, a prodrug, a polymorph, N-oxide, S-oxide, or a carboxylic acid isostere thereof; processes for their preparation; pharmaceutical compositions comprising said compounds; and their use for the treatment of the diseases or disorders mediated by GPR120 receptor.
• Palladium- and Nickel-Catalyzed Cross-Couplings of Unsaturated Halides Bearing Relatively Acidic Protons with Organozinc Reagents
  作者：Georg Manolikakes、Carmen Muñoz Hernandez、Matthias A. Schade、Albrecht Metzger、Paul Knochel

  DOI：10.1021/jo8015852

  日期：2008.11.7

  aryl, heteroaryl, alkyl, and benzylic zinc reagents were coupled with unsaturated aryl halides bearing an acidic NH or OH proton, using Pd(OAc)2 (1 mol %) and S-Phos (2 mol %) as catalyst without the need of protecting groups. A similar nickel-catalyzed reaction is described. The relative kinetic basicity of organozinc compounds as well as their stability toward acidic protons is also described.

  多种多官能芳基，杂芳基，烷基和苄基锌试剂与带有酸性NH或OH质子的不饱和芳基卤化物偶合，使用Pd（OAc）2（1 mol％）和S-Phos（2 mol％）作为不需要保护基的催化剂。描述了类似的镍催化反应。还描述了有机锌化合物的相对动力学碱性及其对酸性质子的稳定性。