1,2-bis(3-carboxyphenyl)ethane | 4380-99-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2-bis(3-carboxyphenyl)ethane
• 英文别名: 3,3'-ethylenedibenzoic acid；3,3'-Dicarboxy-bibenzyl；3-[2-(3-Carboxyphenyl)ethyl]benzoic acid
• CAS: 4380-99-8
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: CKUOWXIVMDLNKO-UHFFFAOYSA-N

物化性质

• 熔点：
  264-265 °C(Solv: benzene (71-43-2); acetone (67-64-1))
• 沸点：
  486.9±38.0 °C(Predicted)
• 密度：
  1.299±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：
  5
• 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：

  1,2-bis(3-carboxyphenyl)ethane 在 lithium aluminium tetrahydride 、 硫酸 作用下， 生成 3,3'-bis(hydroxymethyl)diphenylethane
  参考文献：
  名称：

  Syntheses of 4,12-Dimethyl[2.2]metacyclophane

  摘要：

  DOI：

  10.1021/ja01465a044
• 作为产物：
  描述：

  3-溴苄溴 在 吡啶 、 硫酸 作用下， 生成 1,2-bis(3-carboxyphenyl)ethane
  参考文献：
  名称：

  Syntheses of 4,12-Dimethyl[2.2]metacyclophane

  摘要：

  DOI：

  10.1021/ja01465a044

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。
• Molecular recognition of xanthine alkaloids: First synthetic receptors for theobromine and a series of new receptors for caffeine
  作者：Shyamaprosad Goswami、Ajit Kumar Mahapatra、Reshmi Mukherjee

  DOI：10.1039/b009319j

  日期：2001.10.11

  Synthetic receptors (H3, H4, H5 and H6) are designed and synthesised for the first time for theobromine, a xanthine alkaloid used as a diuretic. The synthesis of the receptor H6 is achieved by Co(PPh3)3Cl-mediated homocoupling of 3-(ethoxycarbonyl)benzyl bromide 12 under mild conditions. New caffeine receptors (H7, H8 and H9) are designed and synthesised. The binding results of theobromine and caffeine (both by NMR and UV studies) are reported.

  首次设计并合成了可可碱的合成受体（H3、H4、H5 和 H6），可可碱是一种用作利尿剂的黄嘌呤生物碱。受体 H6 是在温和条件下通过 Co(PPh3)3Cl 介导的 3-（乙氧基羰基）苄基溴 12 的同偶联反应合成的。设计并合成了新的咖啡因受体（H7、H8 和 H9）。报告了可可碱和咖啡因的结合结果（通过核磁共振和紫外线研究）。
• Troger's Base Molecular Scaffolds in Dicarboxylic Acid Recognition
  作者：Shyamaprosad Goswami、Kumaresh Ghosh、Swagata Dasgupta

  DOI：10.1021/jo9909204

  日期：2000.4.1

  selectivity studies of dicarboxylic acids within the cavities of new fluorescent Troger's base molecular frameworks (1-3) have been carried out with a critical examination of their role of rigidity as well as flexibility in selective binding in comparison to receptor 5. The chiral resolution of the racemic Troger's base receptors (1 and 2) by chiral recognition with (+)- camphoric acid using hydrogen-bonding

  人工受体（1-5）已经被设计并由简单的前体合成。在新的荧光Troger基本分子框架（1-3）的腔内对二羧酸的链长选择性研究已经进行了严格的检查，与它们的受体5相比，它们在刚性和柔韧性上的作用至关重要。研究了外消旋Troger碱基受体（1和2）通过与（+）-樟脑酸通过氢键相互作用进行手性识别的手性拆分。
• 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。
• Fc receptor modulators and uses thereof
  申请人：Ilexus Pty Limited

  公开号：US20020061844A1

  公开（公告）日：2002-05-23

  This invention relates to a pharmaceutical composition comprising a Fc receptor modulating compound and a pharmaceutically acceptable carrier. The present invention also relates to a method for treating a variety of diseases using a Fc receptor modulating compound.

  本发明涉及一种包括Fc受体调节化合物和药用载体的制药组合物。本发明还涉及使用Fc受体调节化合物治疗各种疾病的方法。