(E)-3-(2-Bromomethyl-phenyl)-acrylic acid | 342777-10-0

• 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: (E)-3-(2-Bromomethyl-phenyl)-acrylic acid
• 英文别名: (E)-3-[2-(bromomethyl)phenyl]prop-2-enoic acid
• CAS: 342777-10-0
• 化学式: C₁₀H₉BrO₂
• 分子量: 241.084
• InChiKey: KSPGBXOXQBPXSC-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-3-(2-Bromomethyl-phenyl)-acrylic acid 在 草酰氯 、 N,N-二异丙基乙胺 、 Wang resin 作用下， 以 二氯甲烷 为溶剂， 反应 10.17h， 生成 (E)-3-[2-(2,4-Dichloro-benzyl)-phenyl]-acrylic acid
  参考文献：
  名称：

  Structure–activity relationship on the human EP3 prostanoid receptor by use of solid-support chemistry

  摘要：

  Potent and selective EP3 receptor ligands were found by making a library using solid-support chemistry. These compounds can be obtained by a Suzuki coupling reaction of a solid-supported benzyl bromide using various boronic acids. The yields obtained for this reaction were in the range of 24-95% of arylmethyl cinnamic acid 1 after cleavage from the Wang resin. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00056-7
• 作为产物：
  描述：

  ethyl (E)-2-(bromomethyl)cinnamate 在 氢溴酸 、 溶剂黄146 作用下， 以90%的产率得到(E)-3-(2-Bromomethyl-phenyl)-acrylic acid
  参考文献：
  名称：

  Structure–activity relationship on the human EP3 prostanoid receptor by use of solid-support chemistry

  摘要：

  Potent and selective EP3 receptor ligands were found by making a library using solid-support chemistry. These compounds can be obtained by a Suzuki coupling reaction of a solid-supported benzyl bromide using various boronic acids. The yields obtained for this reaction were in the range of 24-95% of arylmethyl cinnamic acid 1 after cleavage from the Wang resin. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00056-7

文献信息

• Prostaglandin receptor ligands
  申请人：Merck Frosst Canada & Co.

  公开号：US20010031766A1

  公开（公告）日：2001-10-18

  Compounds and methods for treating prostaglandin mediated diseases, and certain pharmaceutical compositions thereof are disclosed. The compounds are represented by formula II: Ar 1 —W—Ar 2 —X—Q  II The compounds of the invention are structurally different from NSAIDs and opiates, and are antagonists of the pain and inflammatory effects of E-type prostaglandins.

  本发明揭示了用于治疗前列腺素介导的疾病的化合物和方法，以及某些制药组合物。该化合物由公式II表示：Ar1-W-Ar2-X-Q，本发明的化合物在结构上不同于NSAIDs和鸦片类药物，并且是E型前列腺素疼痛和炎症效应的拮抗剂。
• BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR
  申请人：Chu Chang An

  公开号：US20080255198A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , m, n, p and s are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases that are associated with the activation of the glycogen synthase enzyme, such as diabetes.

  本发明涉及公式（I）的化合物，其中R1，R2，R3，R4，m，n，p和s如描述和权利要求中所定义，并且其药学上可接受的盐。该化合物用于治疗和/或预防与糖原合成酶酶的激活相关的疾病，如糖尿病。
• MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1000024A1

  公开（公告）日：2000-05-17
• PROSTAGLANDIN RECEPTOR LIGANDS
  申请人：Merck Frosst Canada & Co.

  公开号：EP1119542A1

  公开（公告）日：2001-08-01
• BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1663936B1

  公开（公告）日：2008-01-09