4-(4-(phenoxy)benzoyl)benzoic acid | 82745-25-3

• 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: 4-(4-(phenoxy)benzoyl)benzoic acid
• 英文别名: 4-(4-phenoxybenzoyl)benzoic acid
• CAS: 82745-25-3
• 化学式: C₂₀H₁₄O₄
• 分子量: 318.329
• InChiKey: SQQFOBWKPOREAO-UHFFFAOYSA-N

物化性质

• 熔点：
  221-222 °C(Solv: acetic acid (64-19-7))
• 沸点：
  514.4±35.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  4-(4-(phenoxy)benzoyl)benzoic acid 在 氯化亚砜 、 硫酸 作用下， 生成 4-[4-(4-Chlorosulfonyl-phenoxy)-benzoyl]-benzoyl chloride
  参考文献：
  名称：

  Moskvichev, Yu.A.; Timoshenko, G.N.; Mironov, G.S., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 871 - 874

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯氧基苯基溴化镁 在 二异丁基氢化铝 作用下， 生成 4-(4-(phenoxy)benzoyl)benzoic acid
  参考文献：
  名称：

  二苯甲酮和吲哚羧酸：人类类固醇5α-还原酶的有效2型特异性抑制剂。

  摘要：

  DOI：

  10.1021/jm00001a004

文献信息

• [EN] NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB<br/>[FR] NOUVEAUX PROCÉDÉS DE PRÉPARATION DE VEMURAFENIB
  申请人：LAURUS LABS PRIVATE LTD

  公开号：WO2015075749A1

  公开（公告）日：2015-05-28

  The present invention provides novel intermediates of vemurafenib or a pharmaceutically acceptable salt thereof and processes for its preparation. The present invention also provides novel processes for preparation of vemurafenib or a pharmaceutically acceptable salt thereof using the novel intermediates.

  本发明提供了Vemurafenib或其药用可接受盐的新中间体及其制备方法。本发明还提供了使用这些新中间体制备Vemurafenib或其药用可接受盐的新方法。
• DISSOCIATION OF A 1,4-BIS (4-PHENOXYBENZOYL)BENZENE - LEWIS ACID COMPLEX IN AN AQUEOUS SOLUTION
  申请人：ARKEMA FRANCE

  公开号：US20180334420A1

  公开（公告）日：2018-11-22

  A method for manufacturing 1,4-bis(4-phenoxybenzoylbenzene), including: reacting terephthaloyl chloride with diphenyl ether in a reaction solvent and in the presence of a Lewis acid, so as to obtain a product mixture including a 1,4-bis(4-phenoxybenzoylbenzene)-Lewis acid complex; contacting the product mixture with an aqueous solution, so as to obtain an aqueous phase containing the Lewis acid and an organic phase containing 1,4-bis(4-phenoxybenzoylbenzene).

  一种制备1,4-双(4-苯氧基苯甲酰基苯)的方法，包括以下步骤：在反应溶剂和路易斯酸的存在下，将苯二甲醚与对苯二甲酰氯反应，从而获得包含1,4-双(4-苯氧基苯甲酰基苯)-路易斯酸复合物的产物混合物；将产物混合物与水溶液接触，从而获得含有路易斯酸的水相和含有1,4-双(4-苯氧基苯甲酰基苯)的有机相。
• NOVEL SALTS OF SITAGLIPTIN, PROCESS FOR THE PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF
  申请人：Indukuri Venkata Sunil Kumar

  公开号：US20140073791A1

  公开（公告）日：2014-03-13

  The present invention relates to pharmaceutically acceptable acid addition salts of sitagliptin, in particular anti-oxidant acid addition salts of sitagliptin and a process for its preparation. The present invention also provides a pharmaceutical composition using the pharmaceutically acceptable acid addition salts of sitagliptin.

  本发明涉及西格列汀的药学上可接受的酸加盐，特别是西格列汀的抗氧化剂酸加盐及其制备方法。本发明还提供了使用药学上可接受的酸加盐的西格列汀的制药组合物。
• [EN] METHOD FOR MANUFACTURING 1,4-BIS (4-PHENOXYBENZOYLBENZENE) IN SUPERSATURATION CONDITIONS<br/>[FR] PROCÉDÉ DE FABRICATION DE 1,4-BIS (4-PHÉNOXYBENZOYLBENZÈNE) DANS DES CONDITIONS DE SURSATURATION
  申请人：ARKEMA FRANCE

  公开号：WO2018210959A1

  公开（公告）日：2018-11-22

  The invention relates to amethod for manufacturing 1,4-bis(4-phenoxybenzoylbenzene), comprising: providing a reactant mixture comprising terephthaloyl chloride, diphenyl ether and a Lewis acid in a solvent; reacting terephthaloyl chloride with diphenyl ether, so as to obtain a product mixture comprising a 1,4-bis(4-phenoxybenzoylbenzene)- Lewis acid complex; wherein the 1,4-bis(4-phenoxybenzoylbenzene)-Lewis acid complex is dissolved in the solvent at a 1,4-bis(4-phenoxybenzoylbenzene) weight concentration in the solvent which is higher than the saturation limit of the 1,4-bis(4-phenoxybenzoylbenzene)-Lewis acid complex during at least part of the step of reacting terephthaloyl chloride with diphenyl ether.

  本发明涉及一种制造1,4-双(4-苯氧基苯甲酰基苯)的方法，包括：提供一个反应物混合物，其中包括对苯二甲酰氯、二苯醚和路易斯酸在溶剂中；将对苯二甲酰氯与二苯醚反应，从而得到一个产物混合物，其中包括1,4-双(4-苯氧基苯甲酰基苯)-路易斯酸复合物；其中1,4-双(4-苯氧基苯甲酰基苯)-路易斯酸复合物在溶剂中以1,4-双(4-苯氧基苯甲酰基苯)重量浓度高于至少部分反应对苯二甲酰氯与二苯醚的饱和限度时溶解。
• Synthesis and Biological Evaluation of 4-(4-(Alkyl-and Phenylaminocarbonyl)benzoyl)benzoic Acid Derivatives as Non-steroidal Inhibitors of Steroid 5α-Reductase Isozymes 1 and 2
  作者：Ola I. A. Salem、Tobias Schulz、Rolf W. Hartmann

  DOI：10.1002/1521-4184(200203)335:2/3<83::aid-ardp83>3.0.co;2-3

  日期：2002.3

  The synthesis and biological evaluation of 4‐(4‐(alkyl‐ and phenylaminocarbonyl)‐benzoyl)benzoic acids (4a—4d) as non‐steroidal inhibitors of steroid 5α‐reductase are described. The compounds were tested in vitro for inhibitory activity toward rat and human 5α‐reductase isozymes 1 and 2 at a concentration of 10 μM.The most active inhibitor for the human type 2 isozyme was 4‐(4‐(phenylaminocarbonyl)benzoyl)

  描述了 4-（4-（烷基-和苯基氨基羰基）-苯甲酰基）苯甲酸（4a-4d）作为类固醇 5α-还原酶的非甾体抑制剂的合成和生物学评价。在体外测试了化合物对大鼠和人 5α-还原酶同工酶 1 和 2 的抑制活性，浓度为 10 μM，化合物 4c (IC 50 = 0.82 μM)。