biphenyl-2,4'-dicarboxylic acid | 4445-50-5

• 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: biphenyl-2,4'-dicarboxylic acid
• 英文别名: biphenyl-2,4-dicarboxylic acid；2,4'-bpdc；Biphenyl-2,4-dicarbonsaeure；2,4-Biphenyldicarboxylic acid；4-phenylbenzene-1,3-dicarboxylic acid
• CAS: 4445-50-5
• 化学式: C₁₄H₁₀O₄
• 分子量: 242.231
• InChiKey: BXZPLIKUENLZPF-UHFFFAOYSA-N

物化性质

• 熔点：
  245-246 °C
• 沸点：
  448.6±38.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917399090

反应信息

• 作为反应物：
  描述：

  biphenyl-2,4'-dicarboxylic acid 在 硫酸 作用下， 生成 9-芴酮-2-羧酸
  参考文献：
  名称：

  Alder et al., Justus Liebigs Annalen der Chemie, 1954, vol. 586, p. 110,125

  摘要：

  DOI：
• 作为产物：
  描述：

  3-methylbiphenyl-4-carboxylic acid 在 potassium permanganate 作用下， 生成 biphenyl-2,4'-dicarboxylic acid
  参考文献：
  名称：

  Alder et al., Justus Liebigs Annalen der Chemie, 1954, vol. 586, p. 110,125

  摘要：

  DOI：

文献信息

• Formation of Cyclopent[a]indene and Acenaphthylene from Allyl Esters of Biphenyl Mono- and Di-carboxylic Acids and from Biphenyl Dicarboxylic Anhydrides on Flash Vacuum Pyrolysis at 1000 - 1100°C
  作者：Jayant B. Bapat,、Roger F. C. Brown、Glenn H. Bulmer,、Trevor Childs,、Karen J. Coulston、Frank W. Eastwood、Dennis K. Taylar

  DOI：10.1071/c97119

  日期：——

  Flash vacuum pyrolysis at 1000-1100°C of the allyl esters of the three isomeric biphenylcarboxylic acids, of the allyl esters of the 12 biphenyldicarboxylic acids and of the three biphenyldicarboxylic anhydrides gave pyrolysates which were examined by 1H n.m.r. spectroscopy at temperatures below -50°C. In all cases the spectra showed the presence of cyclopent[a]indene and acenaphthylene together with other products. Possible mechanisms for these ring contraction and cyclization processes are discussed and the results of pyrolyses of [2,3-13C2] biphenyl-2,3-dicarboxylic anhydride, and [3,4-13C2]- and (2-2 H1)-biphenyl-3,4-dicarboxylic anhydrides are reported.

  在 1000-1100°C 下闪速真空热解三种异构联苯羧酸的烯丙基酯 在 1000-1100°C 下闪速真空热解三种异构联苯羧酸的烯丙基酯、12 联苯二甲酸的烯丙基酯和三种联苯二甲酸酐的烯丙基酯 得到的热解产物通过 1H n.m.r. 光谱进行了检测。在所有情况下，光谱都显示 存在环戊并[a]茚和 苊烯和其他产物。这些 环收缩和环化过程的可能机制进行了讨论，并对 2,3-13C2]的热解结果。 联苯-2,3-二羧酸酐和 [3,4-13C2]和 (2-2 H1)-联苯-3,4-二羧酸酐的热解结果。 酐。
• USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION
  申请人：Daugulis Olafs

  公开号：US20090012293A1

  公开（公告）日：2009-01-08

  A one-step method for efficiently converting carbon-hydrogen bonds into carbon-carbon bonds using chloroarenes and palladium catalysts is disclosed. This method allows faster introduction of complex molecular entities, a process that would otherwise require many more steps. This invention is particularly relevant for the organic synthesis of complex molecules such as, but not limited to, pharmacophores.

  一种将氯代芳烃和钯催化剂高效地将碳氢键转化为碳碳键的一步法方法被揭示。该方法可以更快地引入复杂的分子实体，而这个过程通常需要更多的步骤。这一发明特别适用于有机合成复杂分子，例如但不限于药用分子。
• Construction Of Two New 6-connected Manganese(II) Metal Organic Frameworks via Isomeric Biphenyldicarboxylates Based on the Dinuclear Secondary Building Unit
  作者：Guanglong Zou、Xuelin Wang、Tingting Li、Zhiqing Fang、Bing Xie

  DOI：10.1002/zaac.201300628

  日期：2014.8

  Two coordination polymers, namely [Mn(2,4′-bpdc)(bimb)(H2O)0.5]·0.5H2O}n (1) and [Mn(4,4′-bpdc)(bimb)]n·2.5H2O (2) [2,4′-bpdc = biphenyl-2,4′-dicarboxylate, 4,4′-bpdc = biphenyl-4,4′-dicarboxylate, and bimb = 1,4-bis(1-imidazol-yl)-2,5-dimethyl benzene], were hydrothermally synthesized by reactions of manganese(II) salt with the rigid ligand 1,4-bis(1-imidazol-yl)-2,5-dimethyl benzene and isomeric

  两种配位聚合物，即[Mn(2,4'-bpdc)(bimb)(H2O)0.5]·0.5H2O}n(1)和[Mn(4,4'-bpdc)(bimb)]n·2.5 H2O (2) [2,4'-bpdc = biphenyl-2,4'-dicarboxylate, 4,4'-bpdc = biphenyl-4,4'-dicarboxylate, and bimb = 1,4-bis(1-imidazol- yl)-2,5-二甲基苯]，通过锰(II)盐与刚性配体1,4-双(1-咪唑-基)-2,5-二甲基苯和异构联苯二羧酸酯配体反应水热合成. 复合体 1 具有不寻常的 6 连接三维 (3D) 架构，带有点符号 (44.611)。Complex 2 也有一个 3D 结构，带有点符号 (412.63) 的两个互穿 pcu 拓扑。结构比较表明，配体骨架中羧酸盐基团的位置在控制这些配合物的结构拓扑方面起着重要作用。
• Flourene Derivative
  申请人：Yamada Hiroyoshi

  公开号：US20080200551A1

  公开（公告）日：2008-08-21

  This invention relates to a novel fluorene derivative having a characteristic structure in which guanidino group or the like functional group is linked to the fluorene structure via carbonyl group, or a salt thereof. The compound of the invention has an advantage in that it has high affinity for serotonin receptor subtypes, particularly for 5-HT 2B receptor and 5-HT 7 receptor, and shows excellent pharmacological effects in comparison with the conventional compounds which have only one of the antagonistic activities of 5-HT 2B receptor and 5-HT 7 receptor, this is useful as a prophylactic antimigraine agent having high safety and excellent effect.

  这项发明涉及一种新颖的芴衍生物，其具有特征结构，其中脲基或类似的官能团通过羰基与芴结构连接，或其盐。该化合物具有优点，即它对5-HT2B受体和5-HT7受体等血清素受体亚型具有高亲和力，并与仅具有5-HT2B受体和5-HT7受体拮抗活性之一的传统化合物相比，显示出出色的药理效应，因此可用作具有高安全性和出色效果的预防性抗偏头痛剂。
• Medicament For Irritable Bowel Syndrome
  申请人：Akuzawa Shinobu

  公开号：US20080171788A1

  公开（公告）日：2008-07-17

  The invention relates to a medicament for IBS, which comprises a dual antagonist for 5-HT 2B and 5-HT 7 receptors having selective binding affinities for 5-HT 2B and 5-HT 7 receptors. The pharmaceutical composition of the invention is useful as a drug which is excellent in the therapeutic effect on IBS and shows lessened side effects occurring in the existing remedies for IBS, because it showed good pharmacological actions in comparison with the case of independently using a 5-HT 2B receptor antagonist having selective binding affinity for 5-HT 2B receptor or a 5-HT 7 receptor antagonist having selective binding affinity for 5-HT 7 receptor.

  本发明涉及一种治疗肠易激综合征（IBS）的药物，包括一种对5-HT2B和5-HT7受体具有选择性结合亲和力的双重拮抗剂。本发明的制药组合物作为一种药物对IBS具有优异的治疗效果，并且与现有的IBS治疗药物相比，具有减少副作用的优点，因为与单独使用具有选择性结合亲和力的5-HT2B受体拮抗剂或5-HT7受体拮抗剂相比，它表现出良好的药理作用。