potassium 2-acetoxybenzoate | 25817-25-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: potassium 2-acetoxybenzoate
• 英文别名: 2-acetoxy-benzoic acid ; potassium-salt；2-Acetoxy-benzoesaeure; Kalium-Salz；potassium acetylsalicylic acid；Aspirin potassium；potassium;2-acetyloxybenzoate
• CAS: 25817-25-8
• 化学式: C₉H₇O₄*K
• 分子量: 218.25
• InChiKey: JTHVJAYASQZXKB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.02
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  potassium 2-acetoxybenzoate 在 甲醇 作用下， 以 1,4-二氧六环 为溶剂， 反应 45.0h， 生成 Benzoic acid N'-(2-hydroxy-benzoyl)-N'-(4-nitro-phenyl)-hydrazide
  参考文献：
  名称：

  1,2-Diacyl-1-arylhydrazines. 1. Derivatives of 2-hydroxy- and 2-halogenobenzoic acids

  摘要：

  New 1,2-diacyl-1-arylhydrazines, containing a hydroxy group or a mobile halogen atom in the 1-acyl fragment, were obtained by the reaction of the arylhydrazones of acetyl and benzoyl chlorides with the salts of 2-hydroxy-, 2-acetoxy-, and 2-halogeno-3-nitrobenzoic acids. 1-(2-Hydroxybenzoyl)-1-aryl-2-acylhydrazines could not be converted into cyclic products. On heating in alkaline and acidic media elimination of the more hindered salicyloyl group and not dehydration occurred. When boiled in DMF in the presence of bases, 1-(2-halogeno-3-nitro-5-R-benzoyl)-1-aryl-2-acylhydrazines gave 2-aryl-5-R-7-nitroindazol-3-ones and not the expected 4,5-dihydrobenzo[f]-1,3,4-oxadiazepin-5-ones.

  DOI：

  10.1007/bf00866599
• 作为产物：
  描述：

  阿司匹林 在 potassium tert-butylate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 potassium 2-acetoxybenzoate
  参考文献：
  名称：

  与脱羧偶联反应相关的苯甲酸银配合物脱羧的预测模型

  摘要：

  脱羧偶联反应为从简单易得的羧酸偶联伙伴生成官能化芳烃提供了一条有吸引力的途径，但由于羧酸偶联伙伴范围的限制，它们未被充分利用。在这里，我们报告了场效应参数 (F) 对明确定义的苯甲酸银配合物的脱羧速率有重大影响。这一发现提供了超越当前与脱羧相关的底物限制并能够广泛利用脱羧偶联反应的机会。

  DOI：

  10.1021/jacs.7b13305

文献信息

• Ruthenium(<scp>ii</scp>) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines
  作者：Poulami Mandal、Bidyut Kumar Kundu、Komal Vyas、Vidya Sabu、A. Helen、Sandeep Singh Dhankhar、C. M. Nagaraja、Debojit Bhattacherjee、Krishna Pada Bhabak、Suman Mukhopadhyay

  DOI：10.1039/c7dt03637j

  日期：——

  earlier. This work describes the synthesis of four novel ruthenium(II)–arene complexes viz. [Ru(η6-p-cymene)(nap)Cl] 1 [Hnap = naproxen or (S)-2-(6-methoxy-2-naphthyl)propionic acid], [Ru(η6-p-cymene)(diclo)Cl] 2 [Hdiclo = diclofenac or 2-[(2,6-dichlorophenyl)amino] benzeneacetic acid, [Ru(η6-p-cymene)(ibu)Cl] 3 [Hibu = ibuprofen or 2-(4-isobutylphenyl)propanoic acid] and [Ru(η6-p-cymene)(asp)Cl] 4

  非甾体类抗炎药（NSAIDs）是一类分子，已发现它们通过靶向通常被上调（特别是上调）的环氧合酶（COX-1和COX-2）和脂氧合酶（LOX）来具有化学预防特性，从而对癌细胞具有活性COX-2）在恶性肿瘤中。如先前所报道，具有包含不同辅助配体的伪八面体配位环境的亚芳基钌（II）配合物已显示出对原发性和转移性肿瘤的显着活性。这项工作描述的四种新型钌（合成II）配合物-arene即。的[Ru（η 6 - p -cymene）（NAP）CL] 1 [HNAP =萘普生或（小号基）-2-（6-甲氧基-2-萘基）丙酸]，[茹（η 6 - p -cymene）（diclo）CL] 2 [Hdiclo =双氯芬酸或2 - [（2,6-二氯苯基）氨基]苯乙酸，的[Ru（η 6 - p -cymene）（IBU）CL] 3 [= Hibu布洛芬或2-（4-异丁基苯基）丙酸]及[茹（η 6 - p -cymene）（ASP）CL]
• ANALGESIC COMPOSITION AND METHOD OF MAKING THE SAME
  申请人：Phykitt Howard

  公开号：US20120316140A1

  公开（公告）日：2012-12-13

  A soluble aspirin composition, comprising: (i) granules including aspirin, heat-treated bicarbonate salt, pharmaceutically-acceptable resin and surfactant, in mixture with: (ii) crystalline particles of pharmaceutically-acceptable acid; and (iii) crystalline particles of heat-treated bicarbonate salt; wherein the soluble aspirin composition when introduced to water undergoes reaction of the crystalline particles of pharmaceutically-acceptable acid with the heat-treated bicarbonate salt and the aspirin to effect effervescing action and disintegration of the granules with conversion of the aspirin to an acetylsalicylate compound of the bicarbonate salt cation so that the composition rapidly dissolves in the water without occurrence of undissolved residue. The composition is solublizable within 30 seconds in cool to cold water to provide an effervescent analgesic solution that can be readily orally administered to an individual in need of analgesia.

  可溶性阿司匹林组合物，包括：（i）颗粒，包括阿司匹林，经热处理的碳酸氢盐，药用可接受的树脂和表面活性剂，与：（ii）药用可接受的酸的晶体颗粒；和（iii）经热处理的碳酸氢盐的晶体颗粒。当将可溶性阿司匹林组合物引入水中时，药用可接受的酸的晶体颗粒与经热处理的碳酸氢盐和阿司匹林发生反应，产生起泡作用和颗粒的分解，将阿司匹林转化为碳酸氢盐阳离子的乙酰水杨酸盐化合物，使组合物在水中迅速溶解，不会产生未溶残留物。该组合物可在30秒内在冷水至凉水中溶解，提供一种泡腾止痛剂溶液，可轻松口服给需要镇痛的个体。
• Analgesic composition and method of making the same
  申请人：Phykitt Howard

  公开号：US08580853B2

  公开（公告）日：2013-11-12

  A soluble aspirin composition, comprising: (i) granules including aspirin, heat-treated bicarbonate salt, pharmaceutically-acceptable resin and surfactant, in mixture with: (ii) crystalline particles of pharmaceutically-acceptable acid; and (iii) crystalline particles of heat-treated bicarbonate salt; wherein the soluble aspirin composition when introduced to water undergoes reaction of the crystalline particles of pharmaceutically-acceptable acid with the heat-treated bicarbonate salt and the aspirin to effect effervescing action and disintegration of the granules with conversion of the aspirin to an acetylsalicylate compound of the bicarbonate salt cation so that the composition rapidly dissolves in the water without occurrence of undissolved residue. The composition is solublizable within 30 seconds in cool to cold water to provide an effervescent analgesic solution that can be readily orally administered to an individual in need of analgesia.

  一种可溶性阿司匹林组合物，包括：（i）颗粒，其中包括阿司匹林、经热处理的碳酸盐、药用可接受的树脂和表面活性剂，混合有：（ii）药用可接受的酸的结晶颗粒；以及（iii） 经热处理的碳酸盐的结晶颗粒；其中，当将可溶性阿司匹林组合物引入水中时，药用可接受的酸的结晶颗粒与经热处理的碳酸盐和阿司匹林发生反应，产生冒泡作用并使颗粒瓦解，将阿司匹林转化为碳酸盐阳离子的乙酰水杨酸盐化合物，从而使组合物在水中快速溶解，不会产生未溶解残留物。该组合物可在冷水至凉水中溶解30秒，提供一种泡腾镇痛剂溶液，可供需要镇痛的个体口服。
• A stable aspirin tablet and process of preparation thereof
  申请人：Ranbaxy Laboratories Limited

  公开号：EP2340814A2

  公开（公告）日：2011-07-06

  A stable aspirin tablet is disclosed. The tablet is prepared under the controlled conditions of humidity. The free salicylic acid generated in the tablet is not more than 3.0% when the tablet is kept for stability testing for 6 months.

  本发明公开了一种稳定的阿司匹林片剂。该药片是在湿度受控的条件下制备的。在对片剂进行 6 个月的稳定性测试时，片剂中产生的游离水杨酸不超过 3.0%。
• TWO-COMPONENT COMPOSITIONS COMPRISING ACETYL SALICYLIC ACID AND A CARBONATE SALT
  申请人：Asamedic AS

  公开号：EP3501523A1

  公开（公告）日：2019-06-26

  The present invention relates to a novel two-component composition comprising acetylsalicylic acid (ASA) and a salt of carbonic acid which is particularly useful in providing an aqueous solution of ASA for immediate peroral administration.

  本发明涉及一种由乙酰水杨酸（ASA）和一种碳酸盐组成的新型双组分组合物，该组合物特别适用于提供可立即口服的 ASA 水溶液。