5-(4-carboxybenzoylamino)isophthalic acid | 143330-18-1

• 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: 5-(4-carboxybenzoylamino)isophthalic acid
• 英文别名: 5-(4-Carboxybenzoylamino)-isophthalic acid；5-[(4-carboxybenzoyl)amino]benzene-1,3-dicarboxylic acid
• CAS: 143330-18-1
• 化学式: C₁₆H₁₁NO₇
• 分子量: 329.266
• InChiKey: MCHYLNBWZNKPOW-UHFFFAOYSA-N

物化性质

• 沸点：
  567.7±50.0 °C(Predicted)
• 密度：
  1.599±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 N,N-二甲基乙酰胺 、 5-(4-carboxybenzoylamino)isophthalic acid 以 水 为溶剂， 反应 48.0h， 以78%的产率得到[Cd₉(5-(4-carboxybenzoylamino)isophthalic acid(-3H))₆(N,N-dimethylacetamide)₆]*4(N,N-dimethylacetamide)
  参考文献：
  名称：

  Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid

  摘要：

  Five new metal-organic frameworks (MOFs) with 5-(4-carboxybenzoylamino)-isophthalic acid (H3L), namely, [Cd9L6(DMA(6))6] center dot 4DMA (1), [Cd3L2(H2O)(9)] center dot 4H(2)O (2), [LaL(H2O)(4)] center dot 2H(2)O (3), [CeL(H2O)(4)] center dot H2O (4) and [Tb(HL) (H2L)(H2O)3] center dot 5H(2)O (5) (DMA=N,N-dimethylacetamide), have been synthesized. Complex 1 shows a three-dimensional architecture generated from linkage of Cd-O chains via L3- ligands. Minor variations in synthetic conditions of 1 afforded 2, which features an interesting 2D -> 3D catenation architecture containing helical chains. Complexes 3 and 4 are isostructural and each feature a two-dimensional architecture constructed from the linkage of L3- with Ln(3+). Complex 5 displays a chain-like structure, of which the most interesting feature is the existence of free carboxylic acid (-COOH) group which may confer unique functionality. Moreover, the investigations of the thermal stability, powder X-ray diffractions and solid-state photoluminescent properties for these crystalline materials have been carried out (C) 2013 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2013.03.030
• 作为产物：
  描述：

  4-(氯甲酰基)苯甲酸 、 5-氨基间苯二甲酸 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 5-(4-carboxybenzoylamino)isophthalic acid
  参考文献：
  名称：

  新的N-苯基苯甲酰胺酸衍生物的抗过敏和细胞保护活性。

  摘要：

  合成了一系列新的N-苯基苯甲酰胺酸衍生物，并评估了它们抑制IgE介导的大鼠被动皮肤过敏反应（PCA）的能力，以及它们抑制口服绝对剂量诱导的胃粘膜损伤的能力。大鼠饮酒。这些新衍生物中的一些表现出有效的抗过敏和细胞保护活性，比参考的糖基葡萄糖酸二钠（DSCG）高20-80倍。讨论了构效关系。该系列中更有效的化合物之一，即4-（1H-四唑-5-基）-N- [4-（1H-四唑-5-基）苯基]苯甲酰胺的抗过敏活性（化合物44，CR 2039 ）在体内进行了进一步评估。该化合物拮抗雾化的卵清蛋白在麻醉的和有意识的IgE致敏豚鼠中引起的支气管收缩，ID50为3.7 mg /动物（气管吹入）和20 mg / kg（im）。在空腹动物急性口服高渗氯化钠溶液或乙酸引起的胃溃疡模型中，评估了进一步的细胞保护作用。在实验中使用的模型中，CR 2039是有效的，而DSCG似乎没有任何保护活性。这种有效的抗过敏和粘膜

  DOI：

  10.1021/jm00098a006

文献信息

• New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I₂ accommodation
  作者：Jingui Duan、Changchang Zou、Qianqian Li、Wanqin Jin

  DOI：10.1039/c5ce01725d

  日期：——

  A new series of porous coordination polymers with significant 1D channels and open and open acylamide groups demonstrate good potential for selectively probing Cu²⁺ ions. Meanwhile, they show rapid and reversible I₂ accommodation properties.

  一系列具有明显1D通道和开放酰胺基团的多孔配位聚合物展示了对选择性探测Cu2+离子的良好潜力。同时，它们还表现出快速和可逆的I2容纳性能。
• Highly selective CO2 capture of an agw-type metal–organic framework with inserted amides: experimental and theoretical studies
  作者：Jingui Duan、Zhen Yang、Junfeng Bai、Baishu Zheng、Yizhi Li、Shuhua Li

  DOI：10.1039/c2cc16231h

  日期：——

  An amide-inserted metal–organic framework (NJU-Bai3) presents high storage and high selectivity toward CO2 and combines these two interesting characters which strongly support our expectation that amide groups can significantly enhance the CO2 binding ability and selectivity of MOFs.

  一种酰胺嵌入式金属有机框架（NJU-Bai3）对二氧化碳具有高储存性和高选择性，这两种有趣的特性有力地支持了我们的预期，即酰胺基团可以显著增强 MOFs 的二氧化碳结合能力和选择性。
• Antiallergic and cytoprotective activity of new N-phenylbenzamido acid derivatives.
  作者：Francesco Makovec、Walter Peris、Laura Revel、Roberto Giovanetti、Daniele Redaelli、Lucio C. Rovati

  DOI：10.1021/jm00098a006

  日期：1992.10

  A series of new N-phenylbenzamido acid derivatives was synthesized and evaluated for their ability to inhibit the IgE-mediated passive cutaneous anaphylaxis in the rat (PCA), as well as for their capacity to inhibit gastric mucosal damage induced by the oral administration of absolute alcohol in the rat. Some of these new derivatives exhibit potent antiallergic and cytoprotective activity, 20-80 times

  合成了一系列新的N-苯基苯甲酰胺酸衍生物，并评估了它们抑制IgE介导的大鼠被动皮肤过敏反应（PCA）的能力，以及它们抑制口服绝对剂量诱导的胃粘膜损伤的能力。大鼠饮酒。这些新衍生物中的一些表现出有效的抗过敏和细胞保护活性，比参考的糖基葡萄糖酸二钠（DSCG）高20-80倍。讨论了构效关系。该系列中更有效的化合物之一，即4-（1H-四唑-5-基）-N- [4-（1H-四唑-5-基）苯基]苯甲酰胺的抗过敏活性（化合物44，CR 2039 ）在体内进行了进一步评估。该化合物拮抗雾化的卵清蛋白在麻醉的和有意识的IgE致敏豚鼠中引起的支气管收缩，ID50为3.7 mg /动物（气管吹入）和20 mg / kg（im）。在空腹动物急性口服高渗氯化钠溶液或乙酸引起的胃溃疡模型中，评估了进一步的细胞保护作用。在实验中使用的模型中，CR 2039是有效的，而DSCG似乎没有任何保护活性。这种有效的抗过敏和粘膜
• Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid
  作者：Wen Zhao、Li-Juan Zhang、Xiao-Li Zhao

  DOI：10.1016/j.jssc.2013.03.030

  日期：2013.6

  Five new metal-organic frameworks (MOFs) with 5-(4-carboxybenzoylamino)-isophthalic acid (H3L), namely, [Cd9L6(DMA(6))6] center dot 4DMA (1), [Cd3L2(H2O)(9)] center dot 4H(2)O (2), [LaL(H2O)(4)] center dot 2H(2)O (3), [CeL(H2O)(4)] center dot H2O (4) and [Tb(HL) (H2L)(H2O)3] center dot 5H(2)O (5) (DMA=N,N-dimethylacetamide), have been synthesized. Complex 1 shows a three-dimensional architecture generated from linkage of Cd-O chains via L3- ligands. Minor variations in synthetic conditions of 1 afforded 2, which features an interesting 2D -> 3D catenation architecture containing helical chains. Complexes 3 and 4 are isostructural and each feature a two-dimensional architecture constructed from the linkage of L3- with Ln(3+). Complex 5 displays a chain-like structure, of which the most interesting feature is the existence of free carboxylic acid (-COOH) group which may confer unique functionality. Moreover, the investigations of the thermal stability, powder X-ray diffractions and solid-state photoluminescent properties for these crystalline materials have been carried out (C) 2013 Elsevier Inc. All rights reserved.