diphenylethane-3,3'-dicarboxylic acid | 693780-98-2

• 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: diphenylethane-3,3'-dicarboxylic acid
• 英文别名: bis(3-carboxyphenyl)ethane；3-[1-(3-Carboxyphenyl)ethyl]benzoic acid
• CAS: 693780-98-2
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: XINVQTBVVRMNHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  226 °C(Solv: ethanol (64-17-5))
• 沸点：
  485.6±38.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diphenylethane-3,3'-dicarboxylic acid 在 氯化亚砜 作用下， 反应 4.0h， 以100%的产率得到3-[1-(3-carbonochloridoylphenyl)ethyl]benzoyl chloride
  参考文献：
  名称：

  Synthesis, biological activity and molecular modeling studies of novel COX-1 inhibitors

  摘要：

  Synthesis of new potential COX-1 and/or COX-2 inhibitors. derivatives of 1,1-di-(3-carboxyphenyl)ethane, their biological activity, docking results on COX-1 enzyme and absorption, distribution, metabolism, excretion (ADME) properties are presented. In addition to known interactions between ketoprofen and ibuprofen, leading NSAID agents and COX-1 active site, the possibility of formation of additional interactions is explored. Interactions with Ala527, and with one of the water molecules situated Within the active site are identified. Molecular mechanics and DFT calculations for Studied compounds have revealed free rotation around two central bonds (C-1-C-3' and C-1-C-3"), making them flexible, thus easier to enter and adjust to the active site. Further modifications of core structure have been Undertaken to optimize biological activity and ADME properties. As a result, two of the compounds are indicated as novel COX-1 inhibitors. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.11.011
• 作为产物：
  描述：

  3-(1-氰乙基)苯甲酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 生成 diphenylethane-3,3'-dicarboxylic acid
  参考文献：
  名称：

  Synthesis, biological activity and molecular modeling studies of novel COX-1 inhibitors

  摘要：

  Synthesis of new potential COX-1 and/or COX-2 inhibitors. derivatives of 1,1-di-(3-carboxyphenyl)ethane, their biological activity, docking results on COX-1 enzyme and absorption, distribution, metabolism, excretion (ADME) properties are presented. In addition to known interactions between ketoprofen and ibuprofen, leading NSAID agents and COX-1 active site, the possibility of formation of additional interactions is explored. Interactions with Ala527, and with one of the water molecules situated Within the active site are identified. Molecular mechanics and DFT calculations for Studied compounds have revealed free rotation around two central bonds (C-1-C-3' and C-1-C-3"), making them flexible, thus easier to enter and adjust to the active site. Further modifications of core structure have been Undertaken to optimize biological activity and ADME properties. As a result, two of the compounds are indicated as novel COX-1 inhibitors. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.11.011

文献信息

• Aromatic Amide Compound
  申请人：Nair Kamlesh P.

  公开号：US20130048911A1

  公开（公告）日：2013-02-28

  An aromatic amide compound having the following general formula (I) is provided: wherein, X 1 and X 2 are independently C(O)HN or NHC(O); G 1 , G 2 and G 3 are independently hydrogen, C(O)HN-phenyl, or NHC(O)-phenyl, wherein at least one of G 1 , G 2 and G 3 is C(O)HN-phenyl or NHC(O)-phenyl; Q 1 , Q 2 , and Q 3 are independently hydrogen, C(O)HN-phenyl, or NHC(O)-phenyl, wherein at least one of Q 1 , Q 2 , and Q 3 is C(O)HN-phenyl or NHC(O)-phenyl; R 5 is halo, haloalkyl, alkyl, alkenyl, aryl, heteroaryl, cycloalkyl, or heterocyclyl; and m is from 0 to 4.

  提供了一种具有以下通式(I)的芳香酰胺化合物：其中，X1和X2独立地为C(O)HN或NHC(O)；G1、G2和G3独立地为氢、C(O)HN-苯基或NHC(O)-苯基，其中至少一个G1、G2和G3为C(O)HN-苯基或NHC(O)-苯基；Q1、Q2和Q3独立地为氢、C(O)HN-苯基或NHC(O)-苯基，其中至少一个Q1、Q2和Q3为C(O)HN-苯基或NHC(O)-苯基；R5为卤素、卤代烷基、烷基、烯基、芳基、杂芳基、环烷基或杂环烷基；m为0至4。
• Liquid-crystalline polyester production method
  申请人：Ohtomo Shinji

  公开号：US20050080227A1

  公开（公告）日：2005-04-14

  A liquid-crystalline polyester production method with a shortened reaction time and improved productivity per unit time by using an organic basic compound containing one nitrogen atom in a molecule is achieved by a liquid-crystalline polyester production method comprising carrying out acylation reaction and/or ester-exchange in the presence of an organic basic compound containing one nitrogen atom in one molecule and satisfying the following inequality (1): 0< A+ 0.4× B (1) wherein, A and B satisfy A=(Ec h+ −Ec)/(Ep h+ −Ep)}−1 and B=(φf/φfp)−1; Ec denotes the heat of formation of the organic basic compound; Ec h+ denotes the heat of formation of a compound coordinated by proton; Ep denotes the heat of formation of pyridine; and Ep h+ denotes the heat of formation of pyridine coordinated by proton to the nitrogen atom; φf and φfp independently denote parameters relevant to the steric angles.

  通过使用分子中含有一个氮原子的有机碱性化合物，实现了一种缩短反应时间和提高单位时间生产率的液晶聚酯生产方法，其包括在有机碱性化合物的存在下进行酰化反应和/或酯交换，并满足以下不等式(1)：0
• SILICONE RUBBER
  申请人：EMPIRE TECHNOLOGY DEVELOPMENT LLC

  公开号：US20150203635A1

  公开（公告）日：2015-07-23

  Copolymers, as well as compounds, compositions, articles of manufacture, and methods of making thereof, are disclosed. The copolymers may generally exhibit flexibility properties and may generally have a high refractive index. The copolymers may generally be made by providing a dihydrodisiloxane and an aliphatic vinyl alcohol and combining the dihydrodisiloxane and the aliphatic vinyl alcohol under conditions that allow for hydrogenation of the aliphatic vinyl alcohol and result in coupling of the aliphatic vinyl alcohol to the dihydrodisiloxane to produce a hydroxyl substituted siloxane.

  本文介绍了共聚物、化合物、组合物、制造品以及制造方法。这些共聚物通常具有柔性特性和高折射率。通常可以通过提供二氢二硅氧烷和脂肪族乙烯醇，并在允许脂肪族乙烯醇氢化的条件下将二氢二硅氧烷和脂肪族乙烯醇结合起来，从而使脂肪族乙烯醇与二氢二硅氧烷偶联，产生羟基取代的硅氧烷来制备这些共聚物。
• Liquid-crystal polyester resin
  申请人：Ueno Ryuzo

  公开号：US20050054811A1

  公开（公告）日：2005-03-10

  The present invention provides a liquid-crystalline polyester resin which comprises monomer units derived from 2-hydroxy-3-naphthoic acid and/or 2-hydroxynaphthalene-3,6-dicarboxylic acid in an amount of 1-5000 mmol % based on the total monomer components of the resin and an alkaline metal compound in an amount of 10-3000 ppm as alkaline metal based on the total monomer components of the resin. The liquid-crystalline polyester resin of the present invention has good colorability, improved heat resistance and good mechanical properties.

  本发明提供了一种液晶聚酯树脂，其包含从2-羟基-3-萘甲酸和/或2-羟基萘并[3,6-二羧酸]衍生的单体单位，其数量为树脂总单体组分的1-5000 mmol％，以及一种碱性金属化合物，其数量为树脂总单体组分的10-3000 ppm作为碱性金属。本发明的液晶聚酯树脂具有良好的着色性，改善的耐热性和良好的机械性能。
• THERMOSETTING COMPOSITION AND PRINTED CIRCUIT BOARD USING THE SAME
  申请人：JUNG Myung Sup

  公开号：US20100124037A1

  公开（公告）日：2010-05-20

  A thermosetting composition including an organic solvent, a liquid crystalline thermoset oligomer, and either a crosslinking agent or an epoxy resin or both is disclosed. A printed circuit board which includes the thermosetting composition is also disclosed. The printed circuit board is produced by impregnating the thermosetting composition into a reinforcing material.

  本发明公开了一种热固性组合物，包括有机溶剂、液晶热固性低聚物，以及交联剂或环氧树脂或两者都有。本发明还公开了一种包括该热固性组合物的印刷电路板。该印刷电路板是通过将该热固性组合物浸渍到增强材料中制造的。