methyl 2-(4-benzoylphenoxy)acetate | 57682-09-4

• 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 2-(4-benzoylphenoxy)acetate
• CAS: 57682-09-4
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: WAAGUMJODZOKDE-UHFFFAOYSA-N

物化性质

• 沸点：
  407.8±25.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-benzoylphenoxy)acetate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以99%的产率得到(4-苯甲酰基苯氧基)-乙酸
  参考文献：
  名称：

  电喷雾电离后adipoR激动剂的碰撞诱导解离及其在运动药物测试中的应用研究。

  摘要：

  AdipoR激动剂是能够模仿脂联素的小分子口服活性分子，脂联素代表具有抗糖尿病和抗动脉粥样硬化作用的脂肪因子。文献中报道了两种脂联素受体，称为adipoR1和adipoR2。这些受体的激活刺激线粒体的生物发生并导致改善的氧化代谢（通过adipoR1）和增加的胰岛素敏感性（通过adipoR2）。因此，adipoR激动剂是潜在的性能增强物质，是主动和预防性反兴奋剂措施的目标。在这项研究中，通过三步反应合成了两个称为AdipoRon和112254的adipoR激动剂以及两个同位素标记的内标（ISTD）。产品通过核磁共振波谱（NMR）进行了全面表征，质谱（MS）和密度泛函理论（DFT）计算。根据确定的产物离子元素组成，与衍生自标记类似物（ISTD）的产物离子比较，H / D交换实验和DFT计算结果，提出了电喷雾电离后碰撞诱导的解离途径。在m / z 174处发现了最丰富的产物离子，暂时将其分配给AdipoRon的质子化的1-苄基-1

  DOI：

  10.1002/jms.3545
• 作为产物：
  描述：

  (3-bromo-4-methoxyphenyl)-phenylmethanone 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-(4-benzoylphenoxy)acetate
  参考文献：
  名称：

  Synthesis and biological evaluation of negative allosteric modulators of the Kv11.1(hERG) channel

  摘要：

  We synthesized and evaluated a series of compounds for their allosteric modulation at the K(v)11.1 (hERG) channel. Most compounds were negative allosteric modulators of [H-3]dofetilide binding to the channel, in particular 7f, 7h-j and 7p. Compounds 7f and 7p were the most potent negative allosteric modulators amongst all ligands, significantly increasing the dissociation rate of dofetilide in the radioligand kinetic binding assay, while remarkably reducing the affinities of dofetilide and astemizole in a competitive displacement assay. Additionally, both 7f and 7p displayed peculiar displacement characteristics with Hill coefficients significantly distinct from unity as shown by e.g., dofetilide, further indicative of their allosteric effects on dofetilide binding. Our findings in this investigation yielded several promising negative allosteric modulators for future functional and clinical research with respect to their antiarrhythmic propensities, either alone or in combination with known K(v)11.1 blockers. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.10.032

文献信息

• ACTIVATOR OF ADIPONECTIN RECEPTOR
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160214967A1

  公开（公告）日：2016-07-28

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y 1 is (CHR 2 ) a — or the like, X is CH or N, R 1 is a C 1-7 alkyl group, m is an integer of 0-4, Y 2 is *—O—CH 2 —CONH—, *—CONH—(CH 2 ) b —CO— or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  提供了一种用于激活AdipoR1和AdipoR2的AdipoR激活剂。以下式（1）表示的化合物，其中A是取代或未取代的芳基或类似物，Y1是（CHR2）a—或类似物，X是CH或N，R1是C1-7烷基基团，m是0-4的整数，Y2是*—O—CH2—CONH—，*—CONH—（CH2）b—CO—或类似物，Z是环基团，B可以是Z代表的环基团的取代基，n是0-3的整数。
• PHOTOACTIVABLE NITROGEN BASES
  申请人：Dietliker Kurt

  公开号：US20100105794A1

  公开（公告）日：2010-04-29

  Compounds of the Formula (I), (II) and (III) wherein Ar is for example phenylene, biphenylene or naphthylene, all of which are unsubstituted or substituted by C 1 -C 4 -alkyl, C 2 -C 4 -alkenyl, CN, OR 11 , SR 11 , CH2OR 11 , COOR 12 , CONR 12 R 13 or halogen; R 1 , R 2 , R 7 and R 8 independently of one another other are hydrogen or C 1 -C 6 -alkyl; R 3 and R 5 together and R 4 and R 6 together form a C 2 -C 6 -alkylene bridge which is unsubstituted or substituted by one or more C 1 -C 4 -alkyl; R 11 is hydrogen or C 1 -C 6 -alkyl; R 12 and R 13 independently of one another for example are hydrogen, phenyl, C 1 -C 18 -alkyl, C 1 -C 18 -alkyl which is interrupted by one or more O; n is 1-10; X is O, S or NR 10 ; A and A 1 are suitable linking groups; are suitable as photolatent bases.

  公式(I)、(II)和(III)的化合物，其中Ar可以是苯基、联苯基或萘基，它们都可以是未取代或被C1-C4烷基、C2-C4烯基、CN、OR11、SR11、CH2OR11、COOR12、CONR12R13或卤素取代的；R1、R2、R7和R8独立地是氢或C1-C6烷基；R3和R5在一起，R4和R6在一起形成一个未取代或被一个或多个C1-C4烷基取代的C2-C6烷基桥；R11是氢或C1-C6烷基；R12和R13独立地可以是氢、苯基、C1-C18烷基、被一个或多个O中断的C1-C18烷基；n为1-10；X为O、S或NR10；A和A1是适当的连接基团；它们适用于光致潜基。
• RADIATION CURABLE COMPOSITIONS FOR FOOD APPLICATIONS
  申请人：Loccufier Johan

  公开号：US20100304149A1

  公开（公告）日：2010-12-02

  A liquid radiation curable composition for inkjet printing includes a photoinitiating system consisting of one or more diffusion hindered photoinitiators selected from the group consisting of non-polymeric di- or multifunctional initiators, oligomeric or polymeric initiators, and polymerizable initiators, and one or more polymerizable co-initiators, wherein at least one of the polymerizable co-initiators is a polymerizable aromatic tertiary amine. Inkjet inks, an inkjet printing process, and packaging materials may include the liquid radiation curable composition.

  一种用于喷墨打印的液体辐射固化组合物，包括一个光引发系统，该系统由选自非聚合二元或多功能引发剂、寡聚物或聚合物引发剂和可聚合引发剂的一种或多种扩散受阻光引发剂组成，以及一种或多种可聚合共同引发剂，其中至少一种可聚合共同引发剂是可聚合芳香族三级胺。喷墨墨水、喷墨打印过程和包装材料可能包括该液体辐射固化组合物。
• LIMONENE-BASED (METH)ACRYLATES FOR USE IN 3D PRINTING
  申请人：BASF SE

  公开号：EP3680263A1

  公开（公告）日：2020-07-15

  The present invention relates to photocurable compositions, comprising a limonene-based (meth)acrylate (A) obtainable by reacting a) 1 equivalent of a compound of formula especially with 1 to 3 equivalents of a compound of formula in the presence of a catalyst and an inhibitor at elevated temperature and its use in a photopolymerization 3D printing process. The limonene-based (meth)acrylate (A) significantly increases stiffness and glass transition temperatures of photo-cured acrylate compositions. While such effects are usually achieved with the use of aromatic or bisphenol A based compounds, the limonene-based (meth)acrylate (A) offers a sustainable alternative at much lower viscosity.

  本发明涉及光固化组合物，该组合物包含柠檬烯基 (甲基) 丙烯酸酯 (A)，可通过反应 a) 1 个当量的式化合物 特别是 与 1 至 3 个当量的式化合物反应 在催化剂和抑制剂存在下，在高温下进行光聚合 3D 打印工艺。柠檬烯基（甲基）丙烯酸酯（A）可显著提高光固化丙烯酸酯组合物的硬度和玻璃化转变温度。通常使用芳香族或双酚 A 类化合物可以达到这种效果，而柠檬烯基（甲基）丙烯酸酯（A）则提供了一种粘度低得多的可持续替代品。
• HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING
  申请人：BASF SE

  公开号：EP3680274A1

  公开（公告）日：2020-07-15

  The present invention relates to prepolymers of formula a process for the production of the prepolymers, photocurable compositions, comprising the prepolymers of formula (I) and their use in a photopolymerization 3D printing process. In contrast to usual urethane (meth)acrylates. The prepolymers of formula (I) can be prepared without using toxic isocyanates and exhibit pending hydroxyl groups along their molecule backbone which allow for the introduction of further side chains or side groups to improve, for example, the interaction with inorganic fillers.

  本发明涉及式如下的预聚物 式 (I) 的预聚物的生产工艺、光固化组合物（包括式 (I) 的预聚物）及其在光聚合 3D 打印工艺中的用途。与通常的聚氨酯（甲基）丙烯酸酯不同。式（I）的预聚物无需使用有毒的异氰酸酯即可制备，其分子骨架上的羟基尚未完全形成，因此可以引入更多的侧链或侧基，以改善与无机填料等的相互作用。