1,6-bis(2-carboxyphenyl)adipate | 69638-07-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,6-bis(2-carboxyphenyl)adipate
• 英文别名: Hexanedioic Acid Bis-(2-carboxyphenyl) Ester；2-[6-(2-carboxyphenoxy)-6-oxohexanoyl]oxybenzoic acid
• CAS: 69638-07-9
• 化学式: C₂₀H₁₈O₈
• 分子量: 386.358
• InChiKey: IRDOHKKFMUGWDT-UHFFFAOYSA-N

物化性质

• 熔点：
  174-176 °C
• 沸点：
  622.8±50.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,6-bis(2-carboxyphenyl)adipate 、 乙酸酐 以100%的产率得到Bis(2-acetyloxycarbonylphenyl) hexanedioate
  参考文献：
  名称：

  PROCESS AND INTERMEDIATES FOR PREPARING POLY(ANHYDRIDE-ESTERS)

  摘要：

  本发明的某些实施例提供了一种方法，包括在无溶剂的情况下用式(I)的化合物处理羟基羧酸化合物，以提供式(II)的二酸，其中R是一个连接分子，其中每个Y是独立的离去基，X是生物活性化合物的残基。

  公开号：

  US20170121267A1
• 作为产物：
  描述：

  己二酰氯 、 水杨酸 在 吡啶 作用下， 生成 1,6-bis(2-carboxyphenyl)adipate
  参考文献：
  名称：

  低能碰撞诱导的负离子破碎，该负离子衍生自用羟基苯甲酸制成的脂肪族二羧酸二酯。

  摘要：

  用戊二酸，己二酸和庚二酸制得的邻羟基苯甲酸（水杨酸）的二酯是阿司匹林贴剂的某些潜在候选药物的单体。由这些化合物衍生的负离子的碰撞诱导解离（CID）光谱显示出对邻位异构体具有120 Da的“中性损失”。相比之下，衍生自间羟基和对羟基苯甲酸的二酯的阴离子显示出138 Da的损失，可通过电荷去除机理消除羟基苯甲酸的元素。氘标记研究证实，为羟基苯甲酸损失而转移的氢原子特别起源于二羧酸部分的α位。尽管所有光谱都在m / z 137处显示一个峰值，特定于邻位化合物的电荷介导过程使其成为邻位化合物光谱中最突出的峰。适当的氘标记实验表明，为邻位化合物中的m / z 137离子的形成而转移的氢原子特别是从二羧酸部分的α位置衍生而来。

  DOI：

  10.1002/jms.1426

文献信息

• Iodinated polymers
  申请人：Uhrich Kathryn E.

  公开号：US08361453B2

  公开（公告）日：2013-01-29

  The invention provides medical devices that comprise an iodinated polymer and that can be viewed using X-Ray imaging techniques. The invention also provides novel iodinated polymers that can be incorporated into or coated on medical devices.

  这项发明提供了包含碘化聚合物的医疗器械，可以使用X射线成像技术进行观察。该发明还提供了可以用于医疗器械中的新型碘化聚合物，可以被纳入或涂覆在医疗器械上。
• Active agents and their oligomers and polymers
  申请人：Polymerix Corporation

  公开号：US10092578B2

  公开（公告）日：2018-10-09

  Conjugates comprising at least two active agents linked by a diglycolic acid or polyglycol diacid linker are disclosed. The invention also concerns oligomers and polymers of these conjugates and their use in therapeutic and industrial applications for localized, immediate or fast release delivery of an active agent, such as an anti-microbial, anti-infective, or antiseptic agent.

  本发明公开了由二甘醇酸或聚乙二醇二酸连接剂连接的至少两种活性剂组成的共轭物。本发明还涉及这些共轭物的低聚物和聚合物及其在治疗和工业应用中的用途，用于局部、立即或快速释放活性剂，如抗微生物剂、抗感染剂或防腐剂。
• WO2008/34019
  申请人：——

  公开号：——

  公开（公告）日：——
• Effect of Linker Structure on Salicylic Acid-Derived Poly(anhydride−esters)
  作者：Almudena Prudencio、Robert C. Schmeltzer、Kathryn E. Uhrich

  DOI：10.1021/ma048051u

  日期：2005.8.1

  A series of salicylic acid-derived poly(anhydride -esters) were synthesized by melt polymerization methods, in which the structures of the molecule ("linker") linking together the two salicylic acids were varied. To determine the relationship between the linker and the physical properties of the corresponding poly(anhydride-ester), several linkers were evaluated including linear aliphatic, aromatic, and aliphatic branched structures. For the linear aliphatic linkers, higher molecular weights were obtained with longer linear alkyl chains. The most sterically hindered linkers yielded lower molecular weight polymers. The thermal decomposition temperature increased with the alkyl chain length, but the glass transition temperature decreased, due to the enhanced flexibility of the polymer. The highest glass transition temperatures were obtained by using aromatic linkers as a result of inereased pi-pi interactions. Water contact angles determined the relative hydrophobicity of the polymers, which correlated to hydrolytic degradation rates; i.e., the highest contact angle values yielded the slowest degrading polymers.
• Controlled Release of Salicylic Acid from Biodegradable Cross-Linked Polyesters
  作者：Queeny Dasgupta、Kaushik Chatterjee、Giridhar Madras

  DOI：10.1021/acs.molpharmaceut.5b00515

  日期：2015.9.8

  The purpose of this work was to develop a family of crosslinked poly(xylitol adipate salicylate)s with a wide range of tunable release properties for delivering pharmacologically active salicylic acid. The synthesis parameters and release conditions were varied to modulate polyester properties and to understand the mechanism of release. Varying release rates were obtained upon longer curing (35% in the noncured polymer to 10% in the cured polymer in 7 days). Differential salicylic acid loading led to the synthesis of polymers with variable cross-linking and the release could be tuned (100% release for the lowest loading to 30% in the highest loading). Controlled release was monitored by changing various factors, and the release profiles were dependent on the stoichiometric composition, pH, curing time, and presence of enzyme. The polymer released a combination of salicylic acid and disalicylic acid, and the released products were found to be nontoxic. Minimal hemolysis and platelet activation indicated good blood compatibility. These polymers qualify as "bioactive" and "resorbable" and can, therefore, find applications as immunomodulatory resorbable biomaterials with tunable release properties.