2-Ethoxyphenyl-diphenyl-phosphin | 53098-09-2

• 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: 2-Ethoxyphenyl-diphenyl-phosphin
• 英文别名: 2-ethoxyphenyldiphenylphosphine；diphenyl-2-ethoxyphenylphosphine；2-(diphenylphosphino)phenetole；(2-Ethoxyphenyl)-diphenylphosphane
• CAS: 53098-09-2
• 化学式: C₂₀H₁₉OP
• 分子量: 306.344
• InChiKey: ZWHAZLINRHMKIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [Ru(2,2'-bipyridine)2(2-methoxyethyldiphenylphosphine-P,O)](PF6)2 、 2-Ethoxyphenyl-diphenyl-phosphin 以 丙酮 为溶剂， 以1%的产率得到[Ru(2,2'-bipyridine)2(2-ethoxyphenyldiphenylphosphine-P,O)](2+)
  参考文献：
  名称：

  双（联吡啶）钌（II）膦-醚配合物的配体辅助O-脱烷基

  摘要：

  制备和三个表征的[Ru（联吡啶）2（卟P，ö）]（PF 6）2层的复合物，其中报道POR = 2- methoxyphenyldiphenylphosphine在1，2- ethoxyphenyldiphenylphosphine在2和2-methoxyethyldiphenylphosphine 3。配合物1和2通过相同的弱碱性膦经历配体辅助的O-脱烷基化，对于包含具有多个醚取代基的高碱性膦的配合物，通常观察到该反应。Ru（II这些络合物中的中心可能是造成它们脱烷基化产生芳基氧化物络合物的难易程度的原因。配合物3不易受配体辅助的脱烷基作用，主要是因为其膦-醚配体的较低的空间需求使得膦在Ru中心热力学上有利于直接攻击。

  DOI：

  10.1039/b008931l
• 作为产物：
  描述：

  二苯基氯化膦 、 苯乙醚 在 正丁基锂 作用下， 生成 2-Ethoxyphenyl-diphenyl-phosphin
  参考文献：
  名称：

  Horner, L.; Simons, G., Phosphorus and Sulfur and the Related Elements, 1983, vol. 14, p. 189 - 210

  摘要：

  DOI：

文献信息

• Towards multianalyte molecule-based sensors: reactivity and photophysical behaviour of hemilabile ligand-containing Ru(II) bipyridyl complexes
  作者：Cerrie W. Rogers、Michael O. Wolf

  DOI：10.1039/a906911i

  日期：——

  The concept of using hemilabile ligand-containing complexes as the basis for multianalyte sensors is introduced: the preparation of two such ruthenium complexes (1 and 2) and their reactivity towards a series of donor molecules is reported; differential photoluminescence and absorption responses are observed.

  报告介绍了使用含半衰期配体的配合物作为多分析物传感器基础的概念：报告了两种此类钌配合物（1 和 2）的制备及其对一系列供体分子的反应性；观察到了不同的光致发光和吸收反应。
• Aminopyrazine Derivative and Medicine
  申请人：FUJIHARA Hidetaka

  公开号：US20130131082A1

  公开（公告）日：2013-05-23

  The present invention relates to a compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutically acceptable salt of the compound. (I) X is CH or N; R 1 is a halogen atom; and R 2 is H, a halogen atom, CN, [2], [3], [8], [9], an —O-alkyl, an —O-(saturated ring), etc. [2]: —C(R C ) (R D ) (R E ) (R C to R E each are H, an alkyl, etc.) [3]: —N(R F ) (R G ) (R F and R G each are H, OH, amino, a (hetero) aryl, etc.) [8]: —C(═O)R L (R L is an alkyl, OH, an alkoxy, amino, etc.) [9]: a (substituted)phenyl; (II) X is ≧C—C(═O)R B (R B is a (substituted)amino, an alkoxy, OH, etc.); R 1 is a halogen atom; and R 2 is H; and R 3 is H or OH; and R 4 and R 5 each are H or an alkyl.

  本发明涉及一种由通式[1]表示的化合物，满足以下(I)或(II)，或化合物的药学可接受的盐。(I) X是CH或N; R1是卤素原子; R2是H、卤素原子、CN、[2]、[3]、[8]、[9]、—O-烷基、—O-(饱和环)等。[2]:—C(RC)(RD)(RE)(RC到RE每个都是H、烷基等)。[3]:—N(RF)(RG)(RF和RG每个都是H、OH、氨基、(杂)芳基等)。[8]:—C(═O)RL(RL是烷基、OH、烷氧基、氨基等)。[9]:一个(取代)苯基；(II) X是≧C—C(═O)RB(RB是(取代)氨基、烷氧基、OH等);R1是卤素原子; R2是H; R3是H或OH; R4和R5每个都是H或烷基。
• Synthesis, Physicochemical Characterization, Biological Evaluation, In Silico and Molecular Docking Studies of Pd(II) Complexes with P, S-Donor Ligands
  作者：Hizbullah Khan、Muhammad Sirajuddin、Amin Badshah、Sajjad Ahmad、Muhammad Bilal、Syed Muhammad Salman、Ian S. Butler、Tanveer A. Wani、Seema Zargar

  DOI：10.3390/ph16060806

  日期：——

  One homoleptic (1) and three heteroleptic (2–4) palladium(II) complexes were synthesized and characterized by various physicochemical techniques, i.e., elemental analysis, FTIR, Raman spectroscopy, 1H, 13C, and 31P NMR. Compound 1 was also confirmed by single crystal XRD, showing a slightly distorted square planar geometry. The antibacterial results obtained via the agar-well diffusion method for compound 1 were maximum among the screen compounds. All the compounds have shown good to significant antibacterial results against the tested bacterial strains, Escherichia coli, Klebsiella pneumonia, and Staphylococcus aureus, except 2 against Klebsiella pneumonia. Similarly, the molecular docking study of compound 3 has shown the best affinity with binding energy scores of −8.6569, −6.5716, and −7.6966 kcal/mol against Escherichia coli, Klebsiella pneumonia, and Staphylococcus aureus, respectively. Compound 2 has exhibited the highest activity (3.67 µM), followed by compound 3 (4.57 µM), 1 (6.94 µM), and 4 (21.7 µM) against the DU145 human prostate cancer cell line using the sulforhodamine B (SRB) method as compared to cisplatin (>200 µM). The highest docking score was obtained for compounds 2 (−7.5148 kcal/mol) and 3 (−7.0343 kcal/mol). Compound 2 shows that the Cl atom of the compound acts as a chain side acceptor for the DR5 receptor residue Asp B218 and the pyridine ring is involved in interaction with the Tyr A50 residue via arene-H, while Compound 3 interacts with the Asp B218 residue via the Cl atom. The physicochemical parameters determined by the SwissADME webserver revealed that no blood-brain barrier (BBB) permeation is predicted for all four compounds, while gastrointestinal absorption is low for compound 1 and high for the rest of the compounds (2–4). As concluding remarks based on the obtained in vitro biological results, the evaluated compounds after in vivo studies might be a good choice for future antibiotics and anticancer agents.

  通过各种理化技术，即元素分析、傅里叶变换红外光谱、拉曼光谱、1H、13C 和 31P NMR，合成了一种同象（1）和三种异象（2-4）钯（II）配合物，并对其进行了表征。化合物 1 还通过单晶 XRD 得到了证实，显示出略微扭曲的方形平面几何形状。化合物 1 通过琼脂-孔扩散法获得的抗菌结果是所有筛选化合物中最高的。除了 2 号化合物对肺炎克雷伯氏菌的抗菌效果较好外，其他化合物对大肠埃希菌、肺炎克雷伯氏菌和金黄色葡萄球菌等细菌菌株都有良好或显著的抗菌效果。同样，化合物 3 的分子对接研究显示其亲和力最佳，对大肠埃希菌、肺炎克雷伯菌和金黄色葡萄球菌的结合能得分分别为 -8.6569、-6.5716 和 -7.6966 kcal/mol。与顺铂 (>200 µM)相比，化合物 2 采用磺基罗丹明 B (SRB) 法对 DU145 人类前列腺癌细胞系的活性最高（3.67 µM），其次是化合物 3 (4.57 µM)、1 (6.94 µM) 和 4 (21.7 µM)。化合物 2（-7.5148 kcal/mol）和化合物 3（-7.0343 kcal/mol）的对接得分最高。化合物 2 表明该化合物的 Cl 原子作为 DR5 受体残基 Asp B218 的链侧受体，吡啶环通过炔-H 与 Tyr A50 残基相互作用，而化合物 3 则通过 Cl 原子与 Asp B218 残基相互作用。通过 SwissADME 网络服务器测定的理化参数显示，预计所有四种化合物都不会通过血脑屏障（BBB），而化合物 1 的胃肠道吸收率较低，其余化合物的胃肠道吸收率较高（2-4）。最后，根据所获得的体外生物学结果，经过体内研究后，所评估的化合物可能是未来抗生素和抗癌剂的良好选择。
• A method of stabilising hydroxy-containing polymers of butadiene or substituted derivatives thereof
  申请人：ELF ATOCHEM S.A.

  公开号：EP0174174A2

  公开（公告）日：1986-03-12

  Polyhydroxybutadiene compounds are storage stabilized against reactivity changes by incorporating therein an effective amount of a di or triphenyl phosphine compound of the formula wherein each x is hydrogen, a halogen or an alkyl or alkoxy group having from 1 to 10 carbon atoms and y is an alkyl group having from 1 to 10 carbon atoms or an aryl group which may be substituted with a halogen or an alkyl or alkoxy group having from 1 to 10 carbon atoms.

  通过在聚羟基丁二烯化合物中加入有效量的二苯基或三苯基膦化合物，可稳定该化合物的反应性变化，其中每个 x 为氢、卤素或具有 1 至 10 个碳原子的烷基或烷氧基，y 为具有 1 至 10 个碳原子的烷基或可被卤素或具有 1 至 10 个碳原子的烷基或烷氧基取代的芳基。
• AMINOPYRAZINE DERIVATIVE AND MEDICINE
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2394999A1

  公开（公告）日：2011-12-14

  A compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutical acceptable salt of the compound. (I) X is CH or N; R1 is a halogen atom,; and R2 is H, a halogen atom, CN, [2], [3], [8], [9], an -O-alkyl, an -0-(saturated ring), etc. [2]: -C(RC)(RD)(RE) RC to RE each are H, an alkyl, etc.} [3]: -N(RF)(RG) RF and RG each are H, OH, amino, a (hetero) aryl, etc.} [8]: -C(=O)RL RL is an alkyl, OH, an alkoxy, amino, etc.} [9]: a (substituted)phenyl; (II) X is >C-C(=0)RB RB is a (substituted)amino, an alkoxy, OH, etc.}; R1 is a halogen atom; R2 is H; R3 is H or OH; and R3 and R4 each are H or an alkyl.

  由通式[1]代表的满足以下(I)或(II)的化合物，或该化合物的药用盐。 (I) X 是 CH 或 N；R1 是卤素原子；R2 是 H、卤素原子、CN、[2]、[3]、[8]、[9]、-O-烷基、-0-（饱和环）等。 [2]：-C(RC)(RD)(RE) RC 至 RE 各为 H、烷基等}。 [3]：-N(RF)(RG) RF和RG各自是H、OH、氨基、（杂）芳基等}。 [8]：-C(=O)RL RL 是烷基、OH、烷氧基、氨基等}。 [9]：（取代）苯基； (II) X 是 >C-C(=0)RB RB 是（取代的）氨基、烷氧基、OH 等}； R1 是卤素原子；R2 是 H；R3 是 H 或 OH；以及 R3 和 R4 各自是 H 或烷基。