3-(3-ethoxy-phenyl)-propionic acid ethyl ester | 116609-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(3-ethoxy-phenyl)-propionic acid ethyl ester
• 英文别名: 3-(3-Aethoxy-phenyl)-propionsaeure-aethylester；Ethyl 3-(3-ethoxyphenyl)propanoate
• CAS: 116609-01-9
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: DMIWIPIGIRKGRG-UHFFFAOYSA-N

物化性质

• 沸点：
  148 °C(Press: 0.2 Torr)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  3-(3-ethoxy-phenyl)-propionic acid ethyl ester 在 盐酸 、 sodium 、 溶剂黄146 、 牛血清白蛋白 、 氯乙酸 作用下， 反应 36.58h， 生成 Acetic acid 2-[5-(3-ethoxy-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethoxy]-ethyl ester
  参考文献：
  名称：

  Inhibition of uridine phosphorylase: synthesis and structure-activity relationships of aryl-substituted 5-benzyluracils and 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils.

  摘要：

  A series of 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils were synthesized and tested for inhibition of murine liver uridine phosphorylase (UrdPase). Inhibitors of UrdPase are reported to enhance the chemotherapeutic utility of 5-fluoro-2'-deoxyuridine and 5-fluorouracil and to ameliorate zidovudine-induced anemia in animal models. We prepared a series of 5-aryl-substituted analogues of 5-benzylacyclouridine (BAU), a good inhibitor of UrdPase (IC50 of 0.46 mu M), to develop a compound with enhanced potency and improved pharmacokinetics. The first phase of structure-activity relationship studies on a series of 32 aryl-substituted 5-benzyluracils found several 5-(3-alkoxybenzyl) analogues of 5-benzyluracil with enhanced potency. The acyclovir side chain, the (2-hydroxyethoxy)methyl group, was substituted on the more potent aryl-substituted 5-benzyluracils. The two most potent compounds, 10y (3-propoxy) and 10dd (3-sec-butoxy), were inhibitors of UrdPase with IC(50)s of 0.047 and 0.027 mu M, respectively. Six compounds were tested in vivo for effects on steady-state concentrations of circulating uridine in rats. Plasma uridine levels were elevated 3-9-fold by compound levels that ranged from 8 to 50 mu M.

  DOI：

  10.1021/jm00019a015
• 作为产物：
  描述：

  反-3-乙氧基肉桂酸 在 Pd/SrCO₃ 、 硫酸 、 乙酸乙酯 、 甲苯 作用下， 生成 3-(3-ethoxy-phenyl)-propionic acid ethyl ester
  参考文献：
  名称：

  Peak et al., Journal of the Chemical Society, 1936, p. 752,755

  摘要：

  DOI：

文献信息

• 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。
• Isocytosine H2-receptor histamine antagonists I. Oxmetidine and related compounds
  作者：Thomas H Brown、Robert C Blakemore、Graham J Durant、John C Emmett、C.Robin Ganellin、Michael E Parsons、D.Anthony Rawlings、Terence F Walker

  DOI：10.1016/0223-5234(88)90167-5

  日期：1988.1
• Inhibition of uridine phosphorylase: synthesis and structure-activity relationships of aryl-substituted 5-benzyluracils and 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils.
  作者：G. Faye Orr、David L. Musso、G. Evan Boswell、James L. Kelley、Suzanne S. Joyner、Stephen T. Davis、David P. Baccanari

  DOI：10.1021/jm00019a015

  日期：1995.9

  A series of 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils were synthesized and tested for inhibition of murine liver uridine phosphorylase (UrdPase). Inhibitors of UrdPase are reported to enhance the chemotherapeutic utility of 5-fluoro-2'-deoxyuridine and 5-fluorouracil and to ameliorate zidovudine-induced anemia in animal models. We prepared a series of 5-aryl-substituted analogues of 5-benzylacyclouridine (BAU), a good inhibitor of UrdPase (IC50 of 0.46 mu M), to develop a compound with enhanced potency and improved pharmacokinetics. The first phase of structure-activity relationship studies on a series of 32 aryl-substituted 5-benzyluracils found several 5-(3-alkoxybenzyl) analogues of 5-benzyluracil with enhanced potency. The acyclovir side chain, the (2-hydroxyethoxy)methyl group, was substituted on the more potent aryl-substituted 5-benzyluracils. The two most potent compounds, 10y (3-propoxy) and 10dd (3-sec-butoxy), were inhibitors of UrdPase with IC(50)s of 0.047 and 0.027 mu M, respectively. Six compounds were tested in vivo for effects on steady-state concentrations of circulating uridine in rats. Plasma uridine levels were elevated 3-9-fold by compound levels that ranged from 8 to 50 mu M.
• Peak et al., Journal of the Chemical Society, 1936, p. 752,755
  作者：Peak et al.

  DOI：——

  日期：——