2-(4-羟基苯甲酰基)苯甲酸乙酯 | 65133-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-羟基苯甲酰基)苯甲酸乙酯
• 英文名称: 2-(4-hydroxy-benzoyl)-benzoic acid ethyl ester
• 英文别名: 2-(4-Hydroxy-benzoyl)-benzoesaeure-aethylester；Ethyl 2-(4-hydroxybenzoyl)benzoate
• CAS: 65133-93-9
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: IPGYUDVHEPFGQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-羟基苯甲酰基)苯甲酸乙酯 在 氨 、 镍 、 potassium carbonate 、 丁酮 、 potassium iodide 作用下， 生成 2-[4-(2-amino-ethoxy)-benzoyl]-benzoic acid ethyl ester
  参考文献：
  名称：

  Amino esters

  摘要：

  公开号：

  US02681340A1
• 作为产物：
  描述：

  乙醇 、 2-(4-羟基苯甲酰)苯甲酸 在 硫酸 作用下， 以49%的产率得到2-(4-羟基苯甲酰基)苯甲酸乙酯
  参考文献：
  名称：

  HL 752: A potent and long-acting antispasmodic agent

  摘要：

  Ester analogues of methyl-2-(4-(2-piperidinoethoxy)benzoyl)-benzoate hydrochloride (pitofenone) (2) were prepared with an aim to find a more potent and metabolically stable antispasmodic compound. The compounds were evaluated for their in vitro and in vivo antispasmodic activity, and stability to in vitro enzymatic hydrolysis. Of the compounds synthesised, HL 752 (21) showed the most potent and long-lasting antispasmodic activity and was selected as the candidate for clinical development. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00067-9

文献信息

• Orndorff; Kelley, Journal of the American Chemical Society, 1922, vol. 44, p. 1524
  作者：Orndorff、Kelley

  DOI：——

  日期：——
• DE896945
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE<br/>[FR] COMPOSITIONS INHIBITRICES DE POLYMÉRISATION, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：ALBEMARLE CORP

  公开号：WO2008060844A1

  公开（公告）日：2008-05-22

  [EN] This invention provides a liquid polymerization inhibitor composition formed from ingredients comprised of tris(N-nitroso-N-phenylhydroxylamine)aluminum salt and a) 2-hydroxy-2-methylpropiophenone, 2-hydroxy-4'-(2-hydroxyethoxy)-2- methylpropiophenone, a,a-diethoxyacetophenone, or 1-benzoylcyclohexanol, or a combination of any two or more of these; or b) benzophenone, at least one ester having a benzoylphenyl group therein, or at least one acrylate having a benzoylphenyl group therein, or a combination of any two or more of these; or c) both a) and b). When a) is 1-benzoylcyclohexanol, then at least one ingredient from b) is also present in said composition.
  [FR] L'invention concerne une composition liquide inhibitrice de polymérisation formée à partir d'ingrédients composés d'un sel d'aluminium tris(N-nitroso-N-phenylhydroxylamine) et a) de 2-hydroxy-2-methylpropiophenone, 2-hydroxy-4'-(2-hydroxyethoxy)-2- methylpropiophenone, a,a-diethoxyacetophenone, ou de 1-benzoylcyclohexanol, ou d'une combinaison de deux composés quelconques ou plus; ou b) d'un benzophénone, d'au moins un ester comprenant un groupe benzoylphényle, ou d'au moins un acrylate comprenant un groupe benzoylphényle, ou d'une combinaison de deux composés quelconques ou plus; ou c) à la fois de a) et de b). Lorsque a) est 1-benzoylcyclohexanol, au moins un ingrédient provenant de b) est également présent dans la composition.
• HL 752: A potent and long-acting antispasmodic agent
  作者：Swati Bal-Tembe、Dilip N. Bhedi、Anil K. Mishra、Ramanujam Rajagopalan、Anil V. Ghate、Palakodety Subbarayan、Narayan S. Punekar、Anjali V. Kulkarni

  DOI：10.1016/s0968-0896(97)00067-9

  日期：1997.7

  Ester analogues of methyl-2-(4-(2-piperidinoethoxy)benzoyl)-benzoate hydrochloride (pitofenone) (2) were prepared with an aim to find a more potent and metabolically stable antispasmodic compound. The compounds were evaluated for their in vitro and in vivo antispasmodic activity, and stability to in vitro enzymatic hydrolysis. Of the compounds synthesised, HL 752 (21) showed the most potent and long-lasting antispasmodic activity and was selected as the candidate for clinical development. (C) 1997 Elsevier Science Ltd.
• Amino esters
  申请人：HOECHST AG

  公开号：US02681340A1

  公开（公告）日：1954-06-15