β-p-Tolyloxy-propionsaeure-ethylester | 55654-67-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: β-p-Tolyloxy-propionsaeure-ethylester
• 英文别名: 3-(4-Methylphenoxy)-propionsaeureethylester；Ethyl 3-(4-methylphenoxy)propanoate
• CAS: 55654-67-6
• 化学式: C₁₂H₁₆O₃
• mdl: MFCD11651135
• 分子量: 208.257
• InChiKey: LTDJUEKPAAYCQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 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：

  β-p-Tolyloxy-propionsaeure-ethylester 在 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 为溶剂， 以72%的产率得到3-(p-methylphenoxy)propionylhydroxamic acid
  参考文献：
  名称：

  The synthesis and evaluation of phenoxyacylhydroxamic acids as potential agents for Helicobacter pylori infections

  摘要：

  Two series of omega-phenoxy contained acylhydroxamic acids as novel urease inhibitors were designed and synthesized. Biological activity evaluations revealed that co-phenoxypropinoylhydroxamic acids were more active than phenoxyacetohydroxamic acids. Out of these compounds, 3-(3,4-dichlorophenoxy)propionylhydroxamic acid c24 showed significant potency against urease in both cell free extract (IC50 = 0.061 +/- 0.003 mu M) and intact cell (IC50 = 0.89 +/- 0.05 mu M), being over 450- and 120-fold more potent than the clinically prescribed urease inhibitor AHA, repectively. Non-linear fitting of experimental data (V-[S]) suggested a mixed-type inhibition mechanism and a dual site binding mode of these compounds.

  DOI：

  10.1016/j.bmc.2018.07.003
• 作为产物：
  描述：

  对甲酚 、 3-溴丙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 β-p-Tolyloxy-propionsaeure-ethylester
  参考文献：
  名称：

  The synthesis and evaluation of phenoxyacylhydroxamic acids as potential agents for Helicobacter pylori infections

  摘要：

  Two series of omega-phenoxy contained acylhydroxamic acids as novel urease inhibitors were designed and synthesized. Biological activity evaluations revealed that co-phenoxypropinoylhydroxamic acids were more active than phenoxyacetohydroxamic acids. Out of these compounds, 3-(3,4-dichlorophenoxy)propionylhydroxamic acid c24 showed significant potency against urease in both cell free extract (IC50 = 0.061 +/- 0.003 mu M) and intact cell (IC50 = 0.89 +/- 0.05 mu M), being over 450- and 120-fold more potent than the clinically prescribed urease inhibitor AHA, repectively. Non-linear fitting of experimental data (V-[S]) suggested a mixed-type inhibition mechanism and a dual site binding mode of these compounds.

  DOI：

  10.1016/j.bmc.2018.07.003

文献信息

• [EN] OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS<br/>[FR] DÉRIVÉS D'ACIDE OXAZOLYL-ARYLPROPIONIQUE ET LEUR UTILISATION COMME AGONISTES DES PPAR
  申请人：LILLY CO ELI

  公开号：WO2002016331A1

  公开（公告）日：2002-02-28

  Compounds represented by the following structural formula (I), and pharmaceutically acceptable salts, solvates and hydrates thereof, wherein: n is 2, 3, or 4 and W is CH2, CH(OH), C(O) or O; R1 is an unsubstituted or substituted aryl, heteroaryl, cycloalkyl, heterocycloalkyl, aryl-alkyl, heteroaryl-alkyl, cycloalkyl-alkyl, or t-butyl; R2 is H, alkyl, haloalkyl or phenyl; Y is an unsubstituted or substituted thiophen-2,5-diyl or phenylene; R3 is alkyl or haloalkyl; R4 is a substituted or unsubstituted phenyl, naphthyl, 1,2,3,4-tetrahydronaphthyl, quinolyl, pyridyl or benzo[1,3]dioxol-5-yl group; and R5 is H, alkyl, or aminoalkyl; are useful for modulating a peroxisome proliferator activated receptor, particularly in the treatment of diabetes mellitus.

  以下结构式(I)所代表的化合物及其药学上可接受的盐、溶剂化物和水合物，其中：n为2、3或4，W为CH2、CH(OH)、C(O)或O；R1为未取代或取代的芳基、杂环芳基、环烷基、杂环烷基、芳基烷基、杂环芳基烷基、环烷基烷基或叔丁基；R2为H、烷基、卤代烷基或苯基；Y为未取代或取代的噻吩-2,5-二基或苯基；R3为烷基或卤代烷基；R4为取代或未取代的苯基、萘基、1,2,3,4-四氢萘基、喹啉基、吡啶基或苯并[1,3]二噁烷-5-基团；R5为H、烷基或氨基烷基；在调节过氧化物酶体增殖物激活受体方面有用，特别是在糖尿病治疗中。
• Catalyst, process for its preparation and process for polymerization of olefins using this catalyst
  申请人：SHOWA DENKO KABUSHIKI KAISHA

  公开号：EP0383346A2

  公开（公告）日：1990-08-22

  Disclosed is a catalyst composition for use in the polymerization of olefins, which is comprised of (a) a catalyst component containing magnesium, titanium, a halogen, and an ingredient derived from an ester compound, and (b) an organic aluminum compound. The catalyst activity and capability of providing a highly stereoregular polymer are enhanced by preparing the catalyst component (a) by a process wherein, during or after the formation of a solid catalyst component containing magnesium, titanium, and a halogen, the solid catalyst component is treated with an ester of the formula: (R¹O)i(R²O)j(R³O)k-Z-COOR⁴      (I) wherein R¹, R², R³ and R⁴ are an aliphatic, alicyclic, aromatic, polycyclic or heterocyclic compound group, Z is an aliphatic or alicyclic hydrocarbon group in which hydrogen may be substituted with an aromatic or polycyclic group, and i, j and k are integers of 0 to 3 with the provisio that the sum of i, j and k is at least 1.

  本发明公开了一种用于烯烃聚合的催化剂组合物，该催化剂组合物由 (a) 催化剂组分和 (b) 有机铝化合物组成，催化剂组分(a)含有镁、钛、卤素和一种从酯类化合物中提取的成分，(b)有机铝化合物。通过以下工艺制备催化剂组分 (a)，可提高催化剂活性和提供高度立体配位聚合物的能力：在含有镁、钛和卤素的固体催化剂组分形成过程中或形成之后，用式如下的酯处理该固体催化剂组分： (R¹O)i(R²O)j(R³O)k-Z-COOR⁴ (I) 其中，R¹、R²、R³ 和 R⁴ 是脂肪族、脂环族、芳香族、多环族或杂环族化合物基团；Z 是脂肪族或脂环族烃基团，其中的氢可被芳香族或多环基团取代；i、j 和 k 是 0 至 3 的整数，但 i、j 和 k 之和至少为 1。
• Catalyst for polymerization of olefin and process for the preparation of olefin polymer
  申请人：SHOWA DENKO KABUSHIKI KAISHA

  公开号：EP0640624A1

  公开（公告）日：1995-03-01

  A catalyst for producing a polyolefin having a high melting point and a high stereoregularity, which comprises: (A) a solid catalyst component containing titanium, magnesium and halogen, (B) an organic aluminum compound, and (C) an organic silicon compound represented by formula (1): wherein R¹, R² and R³ each represents a C₁₋₃ hydrocarbon group.

  一种用于生产具有高熔点和高立体规整度的聚烯烃的催化剂，它包括：(A) 一种含有钛、镁和卤素的固体催化剂组分，(B) 一种有机铝化合物，和 (C) 一种由式 (1) 表示的有机硅化合物： 其中 R¹、R² 和 R³ 各代表一个 C₁₋₃烃基。
• Catalyst for olefin polymerization and process for producing polyolefin using the same
  申请人：JAPAN POLYOLEFINS CO., LTD.

  公开号：EP0717053A2

  公开（公告）日：1996-06-19

  A catalyst for olefin polymerization comprising: (A) a solid catalyst component comprising a titanium compound, a magnesium compound, and a halogen compound; (B) an organoaluminum compound; (C) a first organosilicon compound represented by formula (I): wherein R¹ represents a hydrocarbon group having 1 to 4 carbon atoms; R² represents a hydrocarbon group having 1 to 6 carbon atoms or a hydrogen atom; R³ and R⁴ each represent a hydrocarbon group having 1 to 6 carbon atoms; and R², R³, and R⁴ may be the same or different; and (D) a second organosilicon compound represented by formula (II): wherein R⁵ represents a hydrocarbon group having 1 to 4 carbon atoms; and R⁶, R⁷, and R⁸, which may be the same or different, each represent a hydrocarbon group having 1 to 6 carbon atoms or a hydrogen atom.

  一种用于烯烃聚合的催化剂，包括：(A) 由钛化合物、镁化合物和卤素化合物组成的固体催化剂组分；(B) 有机铝化合物；(C) 由式 (I) 表示的第一种有机硅化合物： 其中 R¹ 代表具有 1 至 4 个碳原子的烃基；R² 代表具有 1 至 6 个碳原子的烃基或氢原子；R³ 和 R⁴ 各自代表具有 1 至 6 个碳原子的烃基；R²、R³ 和 R⁴ 可以相同或不同；以及 (D) 由式 (II) 代表的第二种有机硅化合物： 其中 R⁵ 代表具有 1 至 4 个碳原子的烃基；而 R⁶、R⁷ 和 R⁸ 可以相同或不同，各自代表具有 1 至 6 个碳原子的烃基或氢原子。
• 3-alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin
  申请人：SHOWA DENKO KABUSHIKI KAISHA

  公开号：EP0704424A1

  公开（公告）日：1996-04-03

  A 3-alkoxypropionic ester derivative, an olefin polymerization solid catalyst component using the same, an olefin polymerization catalyst using the same, and a process for the preparation of a polyolefin using the same. The 3-alkoxypropionic ester derivative is represented by formula (I): wherein R¹ represents a hydrocarbon group having from 1 to 10 carbon atoms; R² represents a hydrocarbon group having from 1 to 20 carbon atoms; R³ represents a hydrocarbon group having from 1 to 20 carbon atoms; and R⁴ represents a branched hydrocarbon group having 3 or more carbon atoms.

  一种 3-烷氧基丙酸酯衍生物、使用该衍生物的烯烃聚合固体催化剂组分、使用该衍生物的烯烃聚合催化剂以及使用该衍生物制备聚烯烃的工艺。3- 烷氧基丙酸酯衍生物由式 (I) 表示： 其中 R¹ 代表具有 1 至 10 个碳原子的烃基；R² 代表具有 1 至 20 个碳原子的烃基；R³ 代表具有 1 至 20 个碳原子的烃基；R⁴ 代表具有 3 个或更多碳原子的支链烃基。