tri-O-(carboxymethyl)pyrogallol | 49629-98-3

• 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: tri-O-(carboxymethyl)pyrogallol
• 英文别名: benzene-1,2,3-triyldioxy-triacetic acid；benzene-1,2,3-triyltris(oxy)triacetic acid；2-[2,3-bis(carboxymethoxy)phenoxy]acetic acid；benzene-1,2,3-triyltrioxy-tri-acetic acid；Pyrogallol-O¹.O².O³-triessigsaeure；Benzen-1,2,3-triyltrioxy-tri-essigsaeure；Pyrogalloltriglykolsaeure；2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid
• CAS: 49629-98-3
• 化学式: C₁₂H₁₂O₉
• 分子量: 300.222
• InChiKey: MVXYTRNPKSARHR-UHFFFAOYSA-N

物化性质

• 沸点：
  551.1±45.0 °C(Predicted)
• 密度：
  1.540±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4,4'-联吡啶 、 cobalt(II) chloride hexahydrate 、 tri-O-(carboxymethyl)pyrogallol 在 sodium hydroxide 作用下， 反应 5.0h， 以23.5%的产率得到
  参考文献：
  名称：

  Syntheses, crystal structures and antibacterial activities of M(II) benzene-1,2,3-triyltris(oxy)triacetic acid complexes

  摘要：

  Four metal(II) complexes with benzene-1,2,3-triyltris(oxy)triacetic acid (H3L), {[Co-1.5(L)(H2O)(6)]center dot 6H(2)O}(n) (1), {[Co-1.5(L)(4,4'-bipy)(1.5)(H2O)(4)]center dot 4H(2)O}(n) (2), {[Co(HL)(2,2'-bipy)(H2O)(2)]center dot 1.5H(2)O}(n) (3), and {[Cu(HL)(phen)(H2O)(2)]center dot H2O}(n) (4) (4,4'-bipy = 4,4'- bipyridine; 2,2'-bipy = 2,2'-bipyridine; phen = phenanthroline), were prepared and structurally characterized. Complex 2 displays a 1-D structure, while 1, 3, and 4 reveal 0-D structures, which further extend to 3-D supramolecular networks by hydrogen bonding interactions, of which 1 and 4 contain double-helical chains, 2 includes meso-helices, and 3 comprises single-helices. Furthermore, the thermal stabilities and antibacterial activities of the complexes were studied.

  DOI：

  10.1080/00958972.2015.1082554
• 作为产物：
  描述：

  氯乙酸 、 邻苯三酚 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.17h， 以83%的产率得到tri-O-(carboxymethyl)pyrogallol
  参考文献：
  名称：

  微波 (MW)、超声波 (US) 和组合协同 MW-US 策略可实现药用酚的快速功能化。

  摘要：

  旨在保护自然环境的日益严格的法规刺激了有机化学和药物化学领域对无有害影响或有害影响最小的新合成方法的探索。一种有趣的方法是使用替代激活因子、微波（MW）或超声波（US）以及它们的交叉组合，这已经在快速有效地创建新结构中进行了测试。目前，通常建议采用简单且绿色的混合策略（“乐高”化学）来设计来自不同化学构件的新物质。通常，具有特定化学反应性的选定生物活性成分通过适当设计的同源或异源双功能连接体整合，该连接体修饰起始结构的功能，从而允许与另一个分子轻松共价连接。在本研究中，研究了如何将异双功能卤代酸连接体快速引入选定的单酚、二酚和三酚活性物质，从而使其功能化。选择亲核取代反应以从酚中产生具有反应性羧基的最终醚。使用各种引发和支持化学反应的绿色因子（MW、US、MW-US）进行功能化。分析了三种绿色负载方法和不同反应条件的优点，并与常规方法的反应结果进行了比较。

  DOI：

  10.3390/molecules23092360

文献信息

• [EN] FATTY ACYL AND FATTY ETHER CONJUGATES OF REMDESIVIR AND ITS ACTIVE METABOLITES AS ANTIVIRALS<br/>[FR] CONJUGUÉS D'ACYLE GRAS ET D'ÉTHER GRAS DE REMDÉSIVIR ET SES MÉTABOLITES ACTIFS EN TANT QU'ANTIVIRAUX
  申请人：AJK PHARMACEUTICAL LLC

  公开号：WO2021222807A1

  公开（公告）日：2021-11-04

  Antiviral compounds, pharmaceutical compositions containing the same, and methods of treating viral infections or medical disorders resulting from viral infections are disclosed.

  本发明公开了抗病毒化合物、含有该化合物的药物组合物以及治疗病毒感染或由病毒感染引起的医疗疾病的方法。
• Giacosa, Journal fur praktische Chemie (Leipzig 1954), 1879, vol. <2> 19, p. 396
  作者：Giacosa

  DOI：——

  日期：——
• Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties
  作者：Yun Gong、Peng Gang Jiang、Jian Li、Tao Wu、Jian Hua Lin

  DOI：10.1021/cg301331p

  日期：2013.3.6

  Using a novel hemirigid multitopic ligand, benzene-1,2,3-triyldioxy-triacetic acid (H3L), five metal(II) complexes formulated as Cd3L2(H2O)(3)center dot H2O (1), Zn(L)(BPPA)(1/2).(HBPPA) (BPPA = N,N1-bis-(4-pyridyl)phthalamide) (2), M(HL)-(phen)(H2O)(2)center dot H2O (phen = phenanthroline) (M = Zn (3) and Co (4)) and Cd(HL)(2,21-bpy)(H2O)center dot 5H(2)O (2,2'-bpy = 2,2'bipyridine) (5) have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complex 1 features a 2-nodal (4, 5)-connected three-dimensional (3D) LIBNIU net with a (3.4(2).5.6.7)(3(2).4(3).5.6(2).7.8) topology. Complex 2 exhibits a 2-nodal (3, 4)-connected two-dimensional (2D) framework with a novel (4.7.8)(4.7(4).8) topology, in which the mu(2)-BPPA is self-penetrated into a cage of the 2D layer constructed by neighboring six Zn(II) ions and six L3-. Complexes 3 and 4 are isostructural, and they are mononuclear Zn(II) and Co(II) complexes, respectively, in which strong intramolecular pi-pi stacking interactions are observed between phen and the phenyl ring of HL2-. Complex 5 is a mononuclear Cd(II) complex, which is assembled into 3D supramolecular architecture via strong intermolecular pi-pi stacking interactions and H bonds. L3- or HL2- displays different coordination modes in the five complexes. Complexes 1-3 and 5 show different UV absorptions, emission spectra, and photoluminescence lifetimes.
• SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES
  申请人：Eastern Virginia Medical School

  公开号：EP2175863A2

  公开（公告）日：2010-04-21
• US9296776B2
  申请人：——

  公开号：US9296776B2

  公开（公告）日：2016-03-29