methyl 3-(4-(4-methoxyphenyl)phenyl)propanoate | 1071836-09-3

• 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 3-(4-(4-methoxyphenyl)phenyl)propanoate
• 英文别名: methyl 3-(4'-methoxy-[1,1'-biphenyl]-4-yl)propanoate；methyl 3-(4'-methoxybiphenyl-4-yl)propanoate；methyl 4'-methoxy-4-biphenylpropanoate；Methyl 3-[4-(4-methoxyphenyl)phenyl]propanoate
• CAS: 1071836-09-3
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: FDWLEXYOXGACKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 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：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-(4-(4-methoxyphenyl)phenyl)propanoate 在 水 、 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 3-(4'-hydroxybiphenyl-4-yl)-propionic acid
  参考文献：
  名称：

  解构作为自组装树状结构图书馆设计的策略

  摘要：

  降低树状结构：自组装树状结构的解构是合理设计具有空前主结构的自组装树状结构库的新策略（参见图片）。在这种策略中，分子靶标是通过系统地从母本树突上除去分支来设计的。这种方法提供了树突代合成中未遇到的多种分子拓扑。

  DOI：

  10.1002/anie.201002514
• 作为产物：
  描述：

  Methyl 3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate 在 1% Pd/C 、 氢气 作用下， 以 乙醇 为溶剂， 生成 methyl 3-(4-(4-methoxyphenyl)phenyl)propanoate
  参考文献：
  名称：

  通过分析AB3和结构异构体AB2联苯丙基醚自组装树突的文库预测超分子树枝状聚合物的结构

  摘要：

  4'-hydroxy-4-biphenylpropionic, 3',4'-dihydroxy-4-biphenylpropionic, 3',5'-dihydroxy-4-biphenylpropionic, and 3',4',5'-trihydroxy-4-的合成联苯丙酸甲酯通过三种有效和模块化的策略，包括一种基于镍催化硼化和顺序交叉偶联的策略。这些构件被用于合成一个 3,4,5-三取代的文库和两个结构异构的 3,4-和 3,5-二取代联苯丙基醚树突的文库的收敛迭代方法。超分子树枝状大分子的结构和逆向结构分析表明，联苯丙基醚树枝状分子自组装和自组织成与先前报道的库中观察到的相同的周期性晶格和准周期性阵列，但具有更大的尺寸，不同的自组装机制，以及改善的溶解性、热稳定性、酸稳定性和氧化稳定性。自组装的不同机制导致发现了两种新的超分子结构。第一个代表具有四层重复的新香蕉状层状晶体。第二个是一个巨大的囊泡球体，由

  DOI：

  10.1021/ja907882n

文献信息

• Two-Step, One-Pot Ni-Catalyzed Neopentylglycolborylation and Complementary Pd/Ni-Catalyzed Cross-Coupling with Aryl Halides, Mesylates, and Tosylates
  作者：Daniela A. Wilson、Christopher J. Wilson、Brad M. Rosen、Virgil Percec

  DOI：10.1021/ol801972f

  日期：2008.11.6

  Two-step, one-pot neopentylglycolborylation of aryl iodides and bromides catalyzed by NiCl2(dppe) and NiCl2(dppp) is reported. Electron-rich and electron-deficient aryl neopentylglycolboronates were efficiently cross-coupled with aryl iodides, bromides, chlorides, mesylates, and tosylates by exploiting complementary Pd/Ni and Ni/Ni catalysis. The borylation route was further extended to a three-step

  据报道，NiCl2（dppe）和NiCl2（dppp）催化芳基碘和溴化物的两步一锅新戊基乙二醇化反应。通过利用互补的Pd / Ni和Ni / Ni催化作用，富电子和缺电子的芳基新戊基乙二醇硼酸酯可以有效地与芳基碘，溴化物，氯化物，甲磺酸酯和甲苯磺酸酯交联。硼化途径通过原位镍催化的硼化和Pd介导的交叉偶联进一步扩展为三步一锅合成联芳基。
• Dual Nickel-/Palladium-Catalyzed Reductive Cross-Coupling Reactions between Two Phenol Derivatives
  作者：Baojian Xiong、Yue Li、Yin Wei、Søren Kramer、Zhong Lian

  DOI：10.1021/acs.orglett.0c02165

  日期：2020.8.21

  Cross-coupling between substrates that can be easily derived from phenols is highly attractive due to the abundance of phenols. Here, we report a dual nickel-/palladium-catalyzed reductive cross-coupling between aryl tosylates and aryl triflates; both substrates can be accessed in just one step from readily available phenols. The reaction has a broad functional group tolerance and substrate scope (>60

  可以容易地衍生自苯酚的底物之间的交叉偶联由于苯酚的含量高而极具吸引力。在这里，我们报道了芳基甲苯磺酸盐和芳基三氟甲磺酸酯之间双重的镍/钯催化的还原交叉偶联。可以从一个容易获得的苯酚中仅一步之遥就获得两种底物。该反应具有宽泛的官能团耐受性和底物范围（> 60个实例）。此外，它显示出对空间效应的低敏感性，这是通过合成2,2'-二取代的联芳基和完全取代的芳基产物证明的。天然产品和药品中苯酚的广泛存在使简单的后期功能化成为可能，例如ezetimibe和酪氨酸。
• Affinity and kinetics study of anthranilic acids as HCA2 receptor agonists
  作者：Jacobus P.D. van Veldhoven、Rongfang Liu、Stephanie A. Thee、Yessica Wouters、Sanne J.M. Verhoork、Christiaan Mooiman、Julien Louvel、Adriaan P. IJzerman

  DOI：10.1016/j.bmc.2015.02.018

  日期：2015.7

  Structure-affinity relationship (SAR) and structure-kinetics relationship (SKR) studies were combined to investigate a series of biphenyl anthranilic acid agonists for the HCA(2) receptor. In total, 27 compounds were synthesized and twelve of them showed higher affinity than nicotinic acid. Two compounds, 6g (IC50 = 75 nM) and 6z (IC50 = 108 nM) showed a longer residence time profile compared to nicotinic acid, exemplified by their kinetic rate index (KRI) values of 1.31 and 1.23, respectively. The SAR study resulted in the novel 2-F, 4-OH derivative (6x) with an IC50 value of 23 nM as the highest affinity HCA(2) agonist of the biphenyl series, although it showed a similar residence time as nicotinic acid. The SAR and SKR data suggest that an early compound selection based on binding kinetics is a promising addition to the lead optimization process. (C) 2015 Elsevier Ltd. All rights reserved.
• [EN] PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS<br/>[FR] PROCÉDÉS POUR LA FABRICATION DE COMPOSÉS BIPHÉNYLES
  申请人：UNIV PENNSYLVANIA

  公开号：WO2009137322A3

  公开（公告）日：2010-01-07
• PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS
  申请人：Percec Virgil

  公开号：US20110207957A1

  公开（公告）日：2011-08-25

  The invention concerns processes for the synthesis of a compound of the formula: wherein: R 1 and R 2 are each, independently, C 1 -C 12 alkyl, CO 2 R 3 , OR 4 , R 5 (OR 6 ), or C 6 -C 18 aryl; R 3 -R 6 are each, independently, C 1 -C 12 alkyl or C 6 -C 12 aryl; and n and m are each, independently, O or an integer from 1-5; said process comprising: —contacting a compound of the formula H0-R 7 -0H with BH 3 and a compound of the formula in the presence of a nickel-containing catalyst to produce a first product, where R 7 is a C 2 -C 12 hydrocarbon group and X is a halogen, OMs or OTs; —contacting the first product in situ with a compound of the formula: in the presence of a nickel-containing catalyst to produce a compound of formula I, where Z is a halogen.