Ethyl 2-methoxymethyl-cinnamate | 1171010-31-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Ethyl 2-methoxymethyl-cinnamate
• 英文别名: ethyl 3-[2-(methoxymethyl)phenyl]prop-2-enoate
• CAS: 1171010-31-3
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: IHFRDBKEJOQKOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  硝基甲烷 、 Ethyl 2-methoxymethyl-cinnamate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 生成 ethyl 3-(2-(methoxymethyl)phenyl)-4-nitrobutanoate
  参考文献：
  名称：

  Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks

  摘要：

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.162
• 作为产物：
  描述：

  苄甲醚 、 丙烯酸乙酯 在 silver(I) acetate 、 palladium diacetate 、 N-乙酰甘氨酸 作用下， 反应 3.0h， 以6%的产率得到Ethyl 2-methoxymethyl-cinnamate
  参考文献：
  名称：

  The design of a readily attachable and cleavable molecular scaffold for ortho-selective C–H alkenylation of arene alcohols

  摘要：

  一种具有独特特点（易于附着、可拆卸、可回收）的新型分子支架，当附着在芳香醇上时，会诱导Pd催化的氧化烯烃化反应。

  DOI：

  10.1039/c5sc03948g

文献信息

• Benzopyranopyrrole and benzopyranopyridine .alpha.-1 adrenergic compounds
  申请人：——

  公开号：US06046207A1

  公开（公告）日：2000-04-04

  The present invention relates to a compound of the formula and the pharmaceutically acceptable salts thereof wherein W is a bicyclic heterocyclic ring system. The compounds are .alpha.-1 adrenergic antagonists and are useful in the treatment of BPH; also disclosed are .alpha.-1 antagonist compositions and a method for antagonizing .alpha.-1 adrenoreceptors and treating BPH.

  本发明涉及一种公式及其药学上可接受的盐的化合物，其中W为双环杂环环系统。这些化合物是α-1肾上腺素受体拮抗剂，可用于治疗前列腺增生症；此外，还披露了α-1拮抗剂组合物和拮抗α-1肾上腺素受体和治疗前列腺增生症的方法。
• Benzopyranopyrrole and benzopyranopyridine .alpha.-1 adenergic compounds
  申请人：Abbott Laboratories

  公开号：US05891882A1

  公开（公告）日：1999-04-06

  The present invention relates to a compound of the formula ##STR1## and the pharmaceutically acceptable salts thereof wherein W is a bicyclic heterocyclic ring system. The compounds are .alpha.-1 adrenergic antagonists and are useful in the treatment of BPH; also disclosed are .alpha.-1 antagonist compositions and a method for antagonizing .alpha.-1 adrenoreceptors and tr

  本发明涉及一种公式为##STR1##的化合物及其药学上可接受的盐，其中W是一个双环杂环环系。这些化合物是α-1肾上腺素受体拮抗剂，可用于治疗BPH；还公开了α-1拮抗剂组合物和拮抗α-1肾上腺素受体的方法。
• The design of a readily attachable and cleavable molecular scaffold for ortho-selective C–H alkenylation of arene alcohols
  作者：Brian J. Knight、Jacob O. Rothbaum、Eric M. Ferreira

  DOI：10.1039/c5sc03948g

  日期：——

  A novel molecular scaffold with distinct features (easily attachable, removable, recoverable) induces Pd-catalyzed oxidative olefinations when attached to arene alcohols.

  一种具有独特特点（易于附着、可拆卸、可回收）的新型分子支架，当附着在芳香醇上时，会诱导Pd催化的氧化烯烃化反应。
• Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks
  作者：Gavin A. Whitlock、Paul E. Brennan、Lee R. Roberts、Alan Stobie

  DOI：10.1016/j.bmcl.2009.03.162

  日期：2009.6

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.