isophthalate | 42966-02-9

• 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: isophthalate
• 英文别名: isophthalate anion；1,3-benzenedicarboxylate；benzene-1,3-dicarboxylate
• CAS: 42966-02-9
• 化学式: C₈H₄O₄
• 分子量: 164.117
• InChiKey: QQVIHTHCMHWDBS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isophthalate 在 水 作用下， 生成 乙酸盐
  参考文献：
  名称：

  Energetics of product formation during anaerobic degradation of phthalate isomers and benzoate

  摘要：

  Methanogenic enrichment cultures grown on phthalate, isophthalate and terephthalate were incubated with the corresponding phthalate isomer on which they were grown, and a mixture of benzoate and the phthalate isomer, All cultures were incubated with bromoethanosulfonate to inactivate the methanogens in the mixed culture. Thus, product formation during fermentation of the aromatic substrates could be studied. It was found that reduction equivalents generated during oxidation of the aromatic substrates to acetate were incorporated in benzoate under formation of carboxycyclohexane. During Fermentation of the phthalate isomers, small amounts of benzoate were detected, suggesting that the initial step in the anaerobic degradation of the phthalate isomers is decarboxylation to benzoate. Gibbs free energy analyses indicated that during degradation of the phthalate isomers, benzoate, carboxycyclohexane, acetate and molecular hydrogen accumulated in such amounts that both the reduction and oxidation of benzoate yielded a constant and comparable amount of energy of approximately 30 kJ mol(-1). Based on these observations it is suggested that within narrow energetic limits, oxidation and reduction of benzoate may proceed simultaneously. Whether this is controlled by the Gibbs free energy change for carboxycyclohexane oxidation remains unclear. (C) 1999 Federation of European Microbiological Societies. Published by Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0168-6496(99)00022-7

文献信息

• Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization
  作者：Alejandro Dorazco-González、Sergio Martinez-Vargas、Simón Hernández-Ortega、Jesús Valdés-Martínez

  DOI：10.1039/c3ce00044c

  日期：——

  New examples of 1D coordination polymers containing mononuclear and dinuclear copper(II) complexes with a series of isophthalates have been designed, synthesized and characterized by single-crystal X-ray diffraction. The reaction between the aqua-complex [Cu(tmen)(H2O)x][ClO4]2 (tmen = N,N,N′,N′-tetramethylethylenediamine) and isophthalate 5-Xip (substituted in position 5, X = –H, –NO2) results in infinite chains with stoichiometry [Cu(tmen)(5-Xip)(H2O)]n. A charge-assisted hydrogen bond of type Cu–OH2⋯O organizes the 1D chains into 2D layers. On the other hand, the self-assembly of the complex [Cu(tmen)(H2O)x][ClO4]2 with a series of isophthalates 5-Xip dianion (X = –H, –NO2, –NH2, –OMe) in presence of 0.5 equiv. of KOH results in 1D chains with dinuclear complexes [Cu2(tmen)2(μ-OH)]+3 as building blocks. The absence of a water molecule coordinated to Cu(II) atom in the dinuclear chains generates different patterns into 2D. The reaction of the aqua-complex of Cu(II) with tetrafluoroisophthalate (TFip) gave a new Janus complex [Cu2(tmen)2(H2O)2(TFip)2]·[Cu(tmen)(TF-ip)]n·3(H2O), where two different supramolecular arrangements are present in the same single crystal (a dimeric structure and 1D polymeric structure).

  设计、合成并通过单晶X射线衍射表征了一系列包含单核和双核铜(II)配合物的新型一维配位聚合物，这些配合物与异苯二甲酸盐系列反应。水合配合物[Cu(tmen)(H2O)x][ClO4]2（tmen = N,N,N′,N′-四甲基乙二胺）与位于5位的异苯二甲酸盐5-Xip（X = –H，–NO2）之间的反应生成了化学计量比为[Cu(tmen)(5-Xip)( )]n的无限链。类型为Cu–OH2⋯O的电荷辅助氢键将一维链组织成二维层。另一方面，配合物[Cu(tmen)( )x][ClO4]2与一系列异苯二甲酸盐5-Xip二阴离子（X = –H，– ，–NH2，–OMe）在0.5当量的KOH存在下自组装，形成以双核配合物[Cu2(tmen)2(μ-OH)]+3为构建单元的一维链。在双核链中，铜(II)原子无水分子配位，从而在二维中生成不同的模式。铜(II)的水合配合物与四氟异苯二甲酸盐(TFip)反应生成了一种新的贾努斯复合物[Cu2(tmen)2( )2(TFip)2]·[Cu(tmen)(TF-ip)]n·3( )，其中在同一单晶中存在两种不同的超分子结构（一个二聚体结构和一个一维聚合物结构）。
• Syntheses, structures and properties of three organic–inorganic hybrid polyoxotungstates constructed from {Ni₆PW₉} building blocks: from isolated clusters to 2-D layers
  作者：Zhong Zhang、Yue-Lin Wang、Hai-Lou Li、Ke-Ning Sun、Guo-Yu Yang

  DOI：10.1039/c9ce00194h

  日期：——

  characterized. Both 1 and 3 contained Ni6(Tris)(en)3(B-α-PW9O34)} units, whereas 2 was constructed from [Ni6(en)3(μ3-OH)3(B-α-PW9O34)] units. 1 is a new monomer. 2 comprises a 1-D chain built by [Ni6(en)3(μ3-OH)3(B-α-PW9O34)] structural building units (SBUs) linked by 1,3-bdc ligands. 3 represents the first 2-D polyoxometalate cluster-organic frameworks (PCOFs) with a honeycomb-like lattice that consists of

  三个新的六-镍II取代的有机-无机混合polyoxotungstates，H [镍0.5（EN）（H 2 O）] [镍6（烯）3（OAC）2（TRIS）（H 2 O）2（B- α-PW 9 ö 34）]·5H 2 O（1），[镍（烯）2 ] [镍6（烯）3（μ 3 -OH）3（1,3-BDC）（H 2 O）2（B-α-PW 9 ö 34）]·9H 2 O（2）和[镍（EN）（H 2O）4 ] 3 [镍6（烯）3（TRIS）（1,3- BDC）1.5（B-α-PW 9 ö 34）] 2 ·8H 2 O（3）（EN =乙二胺，三=三（羟甲基）氨基甲烷1,3-bdc = 1,3-苯二甲酸）进行水热合成和表征。既1和3中包含的Ni 6（TRIS）（烯）3（B-α-PW 9 ö 34）}单元，而2是由[镍构成6（烯）3（μ 3 -OH）3（B-α-PW 9 ö 34）]单元。1是新的单体。2只包括通过内置1-d链[镍6（烯）3（μ
• Blue photoluminescent zinc coordination polymers with supertetranuclear cores
  作者：Jun Tao、Ming-Liang Tong、Jian-Xin Shi、Xiao-Ming Chen、Seik Weng Ng

  DOI：10.1039/b005753n

  日期：——

  Two photoluminescent two- and three-dimensional coordination polymers consisting of Zn4O [or Zn4(OH)2] cores, dicarboxylate (isophthalate or fumarate) and 4,4′-bipyridine ligands as building blocks have been hydrothermally synthesized and structurally characterized.

  以 Zn4O [或 Zn4(OH)2]为核心，以二羧酸盐（间苯二甲酸盐或富马酸盐）和 4,4′-联吡啶配体为结构单元，水热合成了两种二维和三维光致发光配位聚合物，并对其结构进行了表征。
• Neopentyl glycol, terephthalate, dicarboxy acid, trimellitate
  申请人：Cargill, Incorporated

  公开号：US04275189A1

  公开（公告）日：1981-06-23

  The invention is directed to a polyester resin, and a method for making it, for use in a powder coating. The resin comprises on oligomer of neopentyl glycol or cyclohexane dimethanol and terephthalic acid, isophthalic acid or dimethyl terephthalate in a mole ratio between about 1.15 and about 1.50, the oligomer being reacted with trimellitic anhydride to provide a trimellitate with the mole ratio oligomer to trimellitate being in the range of between about 2.5 and 5.5. The trimellitate is reacted with a dicarboxylic anhydride or acid with the mole ratio of trimellitate to dicarboxylic anhydride or acid between about 1.5 and about 2.5. The polyester resin has an ICI viscosity at 200.degree. C. between about 20 poises and about 60 poises, an acid value of less than 30, a hydroxyl value between about 20 and about 60, and an equivalent weight between about 935 and about 2800.

  本发明涉及一种聚酯树脂及其制备方法，用于粉末涂料。该树脂包括新戊二醇或环己二醇和对苯二甲酸、异苯二甲酸或对甲苯二酸的低聚体，其摩尔比在约1.15至约1.50之间，该低聚体与异三苯酸酐反应，以提供一种摩尔比在约2.5至5.5之间的三苯基甲酸酐。该三苯基甲酸酐与二羧酸酐或酸反应，其摩尔比在约1.5至约2.5之间。该聚酯树脂在200℃下的ICI粘度在约20泊至约60泊之间，酸值小于30，羟值在约20至约60之间，当量重量在约935至约2800之间。
• Polyester Elastomer Composition
  申请人：Sakanishi Yuichi

  公开号：US20070260032A1

  公开（公告）日：2007-11-08

  The invention provides a polyester elastomer composition comprising (A) a polyester elastomer, (B) an epoxy compound having at least one epoxy group in the molecule thereof, and (C) a polycarbodiimide compound having at least two carbodiimido groups in the molecule thereof, wherein each of two carbon atoms both adjacent to each carbodiimido group has at least one group among (i) an alkyl group having 1 to 4 carbon atom(s) and (ii) a substituent exhibiting electronic effect of lowering reaction rate, and wherein the amounts of the epoxy compound (B) and the polycarbodiimide compound (C) are 0.01 to 10 parts by weight and 0.01 to 10 parts by weight, respectively, relative to 100 parts by weight of the polyester elastomer (A). The polyester elastomer composition is excellent in terms of hydrolysis resistance, heat resistance, oil resistance, wear resistance, and impact resistance.

  本发明提供一种聚酯弹性体组合物，包括（A）聚酯弹性体，（B）具有分子中至少一个环氧基团的环氧化合物，以及（C）具有分子中至少两个羰基亚胺基团的聚羰基亚胺化合物，其中，与每个羰基亚胺基团相邻的两个碳原子中的每一个都具有（i）1至4个碳原子的烷基基团和/或（ii）表现出降低反应速率的电子效应的取代基之一，且环氧化合物（B）和聚羰基亚胺化合物（C）的用量分别为聚酯弹性体（A）的100重量份中的0.01至10重量份和0.01至10重量份。该聚酯弹性体组合物在耐水解性、耐热性、耐油性、耐磨性和抗冲击性方面具有优异的性能。