2,4,6-三溴-5-氨基间苯二甲酸 | 35453-30-6
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：2.4
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重原子数：16
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可旋转键数：2
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环数：1.0
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sp3杂化的碳原子比例：0.0
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拓扑面积：101
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氢给体数：3
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氢受体数：5
上下游信息
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下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 5-amino-2,4,6-tribromoisophthaloyl dichloride 86216-57-1 C8H2Br3Cl2NO2 454.727
反应信息
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作为反应物：描述：参考文献：名称：New brominated compounds as contrast media for X-ray mammography摘要：这项发明涉及新的溴化合物，其中含有一个或两个苯环，具有良好的物理化学性质、良好的耐受性、稳定性和适合的药代动力学特性，可作为X射线乳腺摄影的造影剂，以及它们的制剂和放射学应用。所描述的新溴造影剂将提高X射线乳腺摄影的敏感性和特异性，特别是在问题病例中。这些新的造影剂在乳腺摄影所使用的能量范围内比碘具有更高的X射线吸收率，具有较高的亲水性，比相应的碘化合物具有更低的毒性和更好的耐受性。公开号：EP1186305A1
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作为产物：参考文献：名称：New brominated compounds as contrast media for X-ray mammography摘要：这项发明涉及新的溴化合物，其中含有一个或两个苯环，具有良好的物理化学性质、良好的耐受性、稳定性和适合的药代动力学特性，可作为X射线乳腺摄影的造影剂，以及它们的制剂和放射学应用。所描述的新溴造影剂将提高X射线乳腺摄影的敏感性和特异性，特别是在问题病例中。这些新的造影剂在乳腺摄影所使用的能量范围内比碘具有更高的X射线吸收率，具有较高的亲水性，比相应的碘化合物具有更低的毒性和更好的耐受性。公开号：EP1186305A1
文献信息
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Process for increasing the tolerance of X-ray contrast media, and申请人：Guerbet S.A.公开号：US04474747A1公开（公告）日：1984-10-02X-ray contrast media, for which the human body has a greater tolerance than that of contrast media comprising solely iodobenzene compounds, and an opacity of the same order of magnitude as the latter contrast media, comprise mixtures of benzene compounds nuclearly substituted with a plurality of iodine atoms and of benzene compounds nuclearly substituted with a plurality of bromine atoms, the bromobenzene compounds having the mole ratio from 1/2 to 2/1 to the iodobenzene compounds in the mixture.X射线造影剂，人体对其的耐受性高于仅含碘苯化合物的造影剂，且其不透明度与后者的造影剂相当，由核上取代有多个碘原子的苯化合物和核上取代有多个溴原子的苯化合物混合而成，其中溴苯化合物与碘苯化合物在混合物中的摩尔比为1/2至2/1。
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Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains作者：Tian He、Ke-Fen Yue、Yi-xing Zhao、San-Ping Chen、Chun-sheng Zhou、Ni YanDOI：10.1016/j.jssc.2016.04.022日期：2016.7reactions of Zn(II) acetates and four V-shaped carboxylates ligands in the presence of 1,4-Bis(2-methyl-imidazol-1-yl)butane afforded four interesting Zn(II) coordination polymers with helical chains, namely, [Zn(bib)(atibdc)]·2H 2 O} n (1), [Zn(bib)(atbip)]·H 2 O} n (2), [Zn(bib)(2,2′-tda)]} n (3) and [Zn(bib)(5-tbipa)]·EtOH} n (4), (H 2 atibdc=5-amino-2,4,6-triiodoisophthalic acid, H 2 atbip=5-amino-2摘要 在 1,4-Bis(2-methyl-imidazol-1-yl)butane 存在下，Zn(II) 乙酸盐和四个 V 形羧酸盐配体的溶剂热反应提供了四种有趣的螺旋链 Zn(II) 配位聚合物，即[Zn(bib)(atibdc)]·2H 2 O} n (1), [Zn(bib)(atbip)]·H 2 O} n (2), [Zn(bib)(2, 2'-tda)]} n (3) 和 [Zn(bib)(5-tbipa)]·EtOH} n (4), (H 2 atibdc=5-amino-2,4,6-triiodoisophthalic acid, H 2 atbip=5-氨基-2,4,6-三溴间苯二甲酸，2,2'-H 2 tad=2,2'-硫代二乙酸，5-H 2 tbipa=5-叔丁基间苯二甲酸）。图 1 显示了一个 3D 手性框架，具有沿 a、b 和 c 轴的三种螺旋链。图2显示
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Synthesis and characterization of two one-dimensional Cd<sup>II</sup> coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands作者：Chong Zhang、Kou-Lin ZhangDOI：10.1107/s205322961801015x日期：2018.8.1
The bromo-substituted aromatic dicarboxylic acid 5-amino-2,4,6-tribromoisophthalic acid (H2ATBIP) was used to assemble with CdII ions in the presence of the N-donor flexible bipyridyl ligands 3,3′-(diazene-1,2-diyl)dipyridine (mzpy) and 1,3-bis(pyridin-3-ylmethyl)urea (3bpmu), leading to the formation of two chain coordination polymers by adopting solution methods, namely,
catena -poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κO )cadmium(II)]-μ-3,3′-(diazene-1,2-diyl)dipyridine-κ2N 1:N 1′] dihydrate], [Cd(C8H2Br3NO4)(C10H8N4)(H2O)3]·2H2O}n or [Cd(ATBIP)(mzpy)(H2O)3]·2H2O}n , (1 ), andcatena -poly[[[tetraaquacadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ2N 1:N 1′-[diaquabis(5-amino-2,4,6-tribromoisophthalato-κO )cadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ2N 1:N 1′] octahydrate], [Cd(C8H2Br3NO4)(C12H12N4O)(H2O)3]·4H2O}n or [Cd(ATBIP)(3bpmu)(H2O)3]·4H2O}n , (2 ). Both complexes were characterized by FT–IR spectroscopic analysis, thermogravimetric analysis (TGA), solid-state diffuse reflectance UV–Vis spectroscopic analysis, and single-crystal and powder X-ray diffraction analysis (PXRD). The mzpy and 3bpmu ligands bridge the CdII metal centres in (1 ) and (2 ) into one-dimensional chains, and the ATBIP2− ligands show a monodentate coordination to the CdII centres in both coordination polymers. A discrete water tetramer exists in (1 ). Within the chains of (1 ) and (2 ), there are halogen bonds between adjacent ATBIP2− and mzpy or 3bpmu ligands, as well as hydrogen bonds between the ATBIP2− ligands and the coordinated water molecules. With the aid of weak interactions, the structures of (1 ) and (2 ) are further extended into three-dimensional supramolecular networks. An analysis of the solid-state diffuse reflectance UV–Vis spectra of (1 ) and (2 ) indicates that a wide indirect band gap exists in both complexes. Complexes (1 ) and (2 ) exhibit irreversible and reversible dehydration–rehydration behaviours, respectively, and the solid-state fluorescence properties of both complexes have been studied.在 N-供体柔性双吡啶配体 3,3′-(重氮-1,2-二基)二吡啶 (mzpy) 和 1、3-双（吡啶-3-基甲基）脲（3bpmu）的作用下，采用溶液法形成了双链配位聚合物，即 catena-poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κO)cadmium(II)]-μ-3,3′-(diazene-1,2-diyl)dipyridine-κ2 N 1:N 1′]二水合物]，[Cd(C8H2Br3NO4)(C10H8N4)(H2O)3]-2H2O}。 n 或[Cd(ATBIP)(mzpy)(H2O)3]-2H2O} n n (1)，以及 catena-聚[[[四喹啉镉（II）]-μ-1,3-双（吡啶-3-基甲基）脲-κ2 N 1:N 1′-[重喹双(5-氨基-2,4,6-三溴间苯二甲酸-κO)镉(II)]-μ-1,3-双(吡啶-3-基甲基)脲-κ2 N 1:N 1′]八水合物]，[Cd(C8H2Br3NO4)(C12H12N4O)(H2O)3]-4H2O}。 n 或[Cd(ATBIP)(3bpmu)(H2O)3]-4H2O} n n , (2).这两种复合物都通过傅立叶变换红外光谱分析、热重分析（TGA）、固态漫反射紫外可见光谱分析以及单晶和粉末 X 射线衍射分析（PXRD）进行了表征。mzpy 和 3bpmu 配体将(1)和(2)中的 CdII 金属中心桥接成一维链，而 ATBIP2- 配体在两种配位聚合物中都显示出与 CdII 中心的单配位。(1)中存在离散的水四聚体。在(1)和(2)的链中，相邻的 ATBIP2-配体和 mzpy 或 3bpmu 配体之间存在卤素键，ATBIP2-配体和配位水分子之间也存在氢键。借助弱相互作用，(1)和(2)的结构进一步扩展成三维超分子网络。对(1)和(2)固态漫反射紫外可见光谱的分析表明，这两种复合物都存在较宽的间接带隙。(1)和(2)复合物分别表现出不可逆和可逆的脱水-水合行为，并对这两种复合物的固态荧光特性进行了研究。 -
Preparation, characterization and luminescence-sensing properties of two Zn<sup>II</sup> MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands作者：Jie Xu、Kou-Lin ZhangDOI：10.1107/s2053229619007435日期：2019.7.1topological network. The supramolecular interactions (π–π stacking, hydrogen bonding and C—Br…Br halogen bonding) play significant roles in the formation of an extended three‐dimensional (3D) supramolecular network of (1). Complex (2) crystallizes in the chiral space group P212121 and exhibits a novel 3D homochiral framework, showing a diamond‐like topology with Schläfli symbol 66. The homochirality of (2)在N-给体柔性双吡啶基型配体1,3-双（吡啶-4-基）存在的情况下，溴取代的芳族二羧酸5-氨基-2,4,6-三溴间苯二甲酸（H 2 ATBIP）丙烷（bpp）和N，N'-双（吡啶-4-基甲基）草酰胺（4-bpme）和Zn II离子被用作O-供体配体，组装了两个新颖的发光金属-有机骨架（MOF），即聚[[（μ-5-氨基-2,4,6- tribromoisophthalato-κ 2 ø 1：ö 3）[μ-1,3-二（吡啶-4-基）丙烷κ 2 ñ：ñ ' ]锌（II）]二甲基甲酰胺单溶剂化物]，[Zn（C 8 H 2 Br 3NO 4）（C 13 H ^ 14 Ñ 2）]·C 3 H ^ 7 NO} Ñ，（1），和聚[[（μ-5-氨基-2,4,6- tribromoisophthalato-κ 2 ø 1：Ò 3）二水[μ- ñ，ñ ' -双（吡啶-4-基甲基）草酰胺-κ 2 ñ：ñ ']锌（II）]一水合物]，[锌（C
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Two new Co<sup>II</sup> coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization作者：Chang-Kai Su、Kou-Lin ZhangDOI：10.1107/s2053229618004382日期：2018.4.1(H2ATBIP) and CoII ions in the presence of the flexible isomeric bis(imidazole) ligands 1,3‐bis(imidazol‐1‐ylmethyl)benzene (mbix) and 1,2‐bis(imidazol‐1‐ylmethyl)benzene (obix). The isomeric mbix and obix ligands have a big influence on the structures of CPs (1) and (2). CP (1) is composed of chains of nanometre‐sized elliptical rings, in which the CoII atom exhibits a distorted octahedral coordination geometry两个新的钴II配位聚合物（CPS），即连锁-聚[[[（5-氨基-2,4,6-三溴苯-1,3- dicarboxylato-κ ø）aquacobalt（II）] -二[μ- 1,3-双（咪唑-1-基甲基）苯κ 2 ñ：ñ ']] 4.75水合物]，[CO（C 8 H ^ 2溴3 NO 4）（C 14 H ^ 14 ñ 4）2（ ħ 2 O）]·4.75H 2 ö} ñ，（1），和聚[（μ-5-氨基-2,4,6-三溴苯-1,3- dicarboxylato-κ 2 ø 1：Ò 3）[μ-1,2-双（咪唑-1-基甲基）苯κ 2 Ñ：Ñ ']钴（II）]，[CO（C 8 H ^ 2溴3 NO 4）（C 14 H ^ 14 Ñ 4）] n，（2），已通过多功能5-氨基-2,4,6-三溴间苯二甲酸（H 2 ATBIP）和Co II的组装成功合成柔性异构体双（咪唑）配体1,3-双（咪唑-1-基甲基）苯（mbix）和1
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