1-[4-(2-苯氧基乙氧基)苯基]乙酮 | 105823-81-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[4-(2-苯氧基乙氧基)苯基]乙酮
• 英文名称: 1-[4-(2-phenoxyethoxy)phenyl]ethanone
• 英文别名: 1-[4-(2-Phenoxy-aethoxy)-phenyl]-aethanon
• CAS: 105823-81-2
• 化学式: C₁₆H₁₆O₃
• mdl: MFCD12446505
• 分子量: 256.301
• InChiKey: RVQDDTWSMXKJGF-UHFFFAOYSA-N

物化性质

• 沸点：
  413.5±25.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.187
• 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：

  1-[4-(2-苯氧基乙氧基)苯基]乙酮 在 溴 、 溶剂黄146 作用下， 反应 1.0h， 生成 2-bromo-1-[4-(2-phenoxyethoxy)phenyl]-ethanone
  参考文献：
  名称：

  Synthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for the α1-adrenoceptors

  摘要：

  Three different series of 1H-pyrrolopyrimidine-2,4-dione derivatives were designed and synthesized as ligands for the alpha(1)-adrenergic receptors (alpha(1)-ARs). A microwave-assisted protocol was developed in order to improve purity and yields of some final products. The majority of the synthesized compounds, tested in binding assays, displayed alpha(1)-AR affinities in the nanomolar range. Highest affinity values were found in derivatives 10b and 10c (K-i = 1.4 nM for both) whereas compound 10e was endowed with the best profile in term of alpha(1)-AR affinity (K-i = 2.71 nM) coupled with high selectivity towards 5-HT1A receptors (K-i > 10,000). Molecular docking studies were performed on human alpha(1)-ARs and human 5-HT1A receptors in order to rationalize the observed experimental affinity and selectivity; these computational studies helped to clarify molecular requirements for the design of high-selective alpha(1)-adrenergic ligands. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.043
• 作为产物：
  描述：

  对羟基苯乙酮 、 2-氯苯乙醚 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 1-[4-(2-苯氧基乙氧基)苯基]乙酮
  参考文献：
  名称：

  Synthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for the α1-adrenoceptors

  摘要：

  Three different series of 1H-pyrrolopyrimidine-2,4-dione derivatives were designed and synthesized as ligands for the alpha(1)-adrenergic receptors (alpha(1)-ARs). A microwave-assisted protocol was developed in order to improve purity and yields of some final products. The majority of the synthesized compounds, tested in binding assays, displayed alpha(1)-AR affinities in the nanomolar range. Highest affinity values were found in derivatives 10b and 10c (K-i = 1.4 nM for both) whereas compound 10e was endowed with the best profile in term of alpha(1)-AR affinity (K-i = 2.71 nM) coupled with high selectivity towards 5-HT1A receptors (K-i > 10,000). Molecular docking studies were performed on human alpha(1)-ARs and human 5-HT1A receptors in order to rationalize the observed experimental affinity and selectivity; these computational studies helped to clarify molecular requirements for the design of high-selective alpha(1)-adrenergic ligands. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.043

文献信息

• Photoinduced Carbon−Heteroatom Cross‐Coupling Catalyzed by Nickel Naphthyridine Complexes
  作者：Janet Bahri、Shubham Deolka、Pavan K. Vardhanapu、Eugene Khaskin、Ramadoss Govindarajan、Robert R. Fayzullin、Serhii Vasylevskyi、Julia R. Khusnutdinova

  DOI：10.1002/cctc.202301142

  日期：2023.12.19

  and C‒O cross-coupling reactions catalyzed by NiII complexes supported by 2,7-dimethyl-1,8-naphthyridine ligand. Using the same Ni catalyst and visible light irradiation, both C‒O and C‒N coupling reactivity was observed without additional photocatalysts. These results demonstrate that Ni naphthyridine complexes represent a versatile catalytic motif for photoredox nickel catalysis alternative to commonly

  我们描述了由 2,7-二甲基-1,8-萘啶配体支持的 NiII 配合物催化的多功能且实用的光促进 C-N 和 C-O 交叉偶联反应。使用相同的 Ni 催化剂和可见光照射，无需额外的光催化剂即可观察到 C-O 和 C-N 偶联反应性。这些结果表明，镍萘啶配合物代表了光氧化还原镍催化的通用催化基序，可替代常用的联吡啶或多齿配体。
• Bockstahler; Wright, Journal of the American Pharmaceutical Association (1912), 1957, vol. 46, p. 542,544
  作者：Bockstahler、Wright

  DOI：——

  日期：——
• [EN] THERMOCHROMIC COLOR-MEMORY COMPOSITION AND THERMOCHROMIC COLOR-MEMORY MICROCAPSULE PIGMENT ENCAPSULATING SAME<br/>[FR] COMPOSITION THERMOCHROME À MÉMOIRE DE COULEURS ET PIGMENT EN MICROCAPSULE THERMOCHROME À MÉMOIRE DE COULEURS L'ENCAPSULANT<br/>[JA] 感温変色性色彩記憶性組成物及びそれを内包した感温変色性色彩記憶性マイクロカプセル顔料
  申请人：PILOT INK CO LTD

  公开号：WO2017022471A1

  公开（公告）日：2017-02-09

  【課題】色彩を互変的に記憶保持できる特性を効果的に発現させ、多様な分野に適用性を有する感温変色性色彩記憶性組成物及びそれを内包した感温変色性色彩記憶性マイクロカプセル顔料を提供する。 【解決手段】（ａ）電子供与性呈色性有機化合物と、（ｂ）電子受容性化合物と、（ｃ）前記（ａ）成分および（ｂ）成分の呈色反応をコントロールする反応媒体として、下記式（１）で示されるエステル化合物と、を含んでなる感温変色性色彩記憶性組成物。（式中、Ｒは炭素数３乃至１８のアルキル基、炭素数６乃至１１のシクロアルキルアルキル基、炭素数５乃至７のシクロアルキル基、炭素数３乃至１８のアルケニル基のいずれかを示し、Ｘはそれぞれ独立に水素原子、炭素数１乃至４のアルキル基、炭素数１乃至３のアルコキシ基、ハロゲン原子のいずれかを示し、Ｙはそれぞれ独立に水素原子、炭素数１乃至４のアルキル基、メトキシ基、エトキシ基、ハロゲン原子のいずれかを示す。）