3-氨基-5-碘苯甲酸 | 102153-73-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基-5-碘苯甲酸
• 英文名称: 3-amino-5-iodobenzoic acid
• 英文别名: 3-amino-5-iodo-benzoic acid；3-Amino-5-jod-benzoesaeure
• CAS: 102153-73-1
• 化学式: C₇H₆INO₂
• mdl: MFCD00068822
• 分子量: 263.035
• InChiKey: KBYLCDHIWWCZLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  3-氨基-5-碘苯甲酸 在 palladium on activated charcoal palladium diacetate 、 氢气 、 双(2-氧代-3-恶唑烷基)次磷酰氯 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 氢氧化钾 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 80.0 ℃ 、275.79 kPa 条件下， 反应 4.0h， 生成
  参考文献：
  名称：

  Rigid Macrocyclic Triamides as Anion Receptors:  Anion-Dependent Binding Stoichiometries and ¹H Chemical Shift Changes

  摘要：

  The cyclic triamide of 3'-amino-3-biphenylcarboxlic acid is readily synthesized in a stepwise manner and represents a novel class of anion receptors with a large central cavity. This macrocycle binds more strongly to tetrahedral anions than spherical or planar anions in organic solvents. The binding stoichiometries for anions with symmetrical charge distribution depend on the solvent polarity, while tetrahedral p-tosylate binds to the macrocycle with 1:1 stoichiometry in all solvents studied. The H-1 NMR chemical shift changes of the protons lining the interior of the macrocycle's central cavity also depend on the geometry of the bound anion. The importance of the convergent array of hydrogen bond donors for anion binding by the macrocycle was confirmed by control studies with an acyclic triamide and a macrocycle with intramolecular hydrogen bonds.

  DOI：

  10.1021/ja034563x
• 作为产物：
  描述：

  3-碘-5-硝基苯甲酸 在 1,4-二氧六环 、 镍 作用下， 生成 3-氨基-5-碘苯甲酸
  参考文献：
  名称：

  Röntgenkontrastmittel auf der Basis jodierter Phenoxyfettsäuren

  摘要：

  Die Darstellung mono-, di-, tri- und tetrajodierter Phenoxyfettsäuren durch Kondensation jodierter Phenole mit geeigneten Halogenfettsäureestern oder durch Jodieren von Phenoxyfettsäuren mit JCL wird beschrieben。Bessere Herstellungsmethoden bekannter Jodphenole und die Synthesen einiger di-, tri- und tetrajodierter Phenole werden angegeben。Zwei Versuche zur Gewinnung der Tetrajod-m-aminobenzoesäure

  DOI：

  10.1002/ardp.19592921102

文献信息

• Folding and Aggregation of Cationic Oligo(aryl-triazole)s in Aqueous Solution
  作者：Ying Wang、Fei Li、Yumiao Han、Fuyi Wang、Hua Jiang

  DOI：10.1002/chem.200900546

  日期：2009.9.21

  Cationic aryl triazole oligomers have been synthesized through “click chemistry”. The results show that cationic aryl triazole oligomers adopt a helical conformation in water or in a mixture of water and methanol, but prevail as a random‐coiled conformation in methanol. Importantly, circular dichroism spectroscopy and dynamic light scattering experiments revealed that cationic oligomers aggregated intermolecularly

  阳离子芳基三唑低聚物已通过“点击化学”合成。结果表明，阳离子芳基三唑低聚物在水中或在水和甲醇的混合物中呈螺旋构象，但在甲醇中以无规卷曲构象占优势。重要的是，圆二色光谱和动态光散射实验表明，阳离子低聚物分子间聚集形成具有与单个螺旋相反的螺旋感的高阶结构，最终导致形成尺寸在100-500 nm范围内的聚集体。阳离子低聚物的聚集取决于环境的浓度和极性。更有趣的是，阳离子折叠剂能够识别水溶液中的氯离子和氟离子。
• Wheeler; Liddle, American Chemical Journal, 1909, vol. 42, p. 500
  作者：Wheeler、Liddle

  DOI：——

  日期：——
• Selective Anion Binding by a Macrocycle with Convergent Hydrogen Bonding Functionality
  作者：Kihang Choi、Andrew D. Hamilton

  DOI：10.1021/ja005772+

  日期：2001.3.1
• US4642240A
  申请人：——

  公开号：US4642240A

  公开（公告）日：1987-02-10
• Rigid Macrocyclic Triamides as Anion Receptors:  Anion-Dependent Binding Stoichiometries and ¹H Chemical Shift Changes
  作者：Kihang Choi、Andrew D. Hamilton

  DOI：10.1021/ja034563x

  日期：2003.8.1

  The cyclic triamide of 3'-amino-3-biphenylcarboxlic acid is readily synthesized in a stepwise manner and represents a novel class of anion receptors with a large central cavity. This macrocycle binds more strongly to tetrahedral anions than spherical or planar anions in organic solvents. The binding stoichiometries for anions with symmetrical charge distribution depend on the solvent polarity, while tetrahedral p-tosylate binds to the macrocycle with 1:1 stoichiometry in all solvents studied. The H-1 NMR chemical shift changes of the protons lining the interior of the macrocycle's central cavity also depend on the geometry of the bound anion. The importance of the convergent array of hydrogen bond donors for anion binding by the macrocycle was confirmed by control studies with an acyclic triamide and a macrocycle with intramolecular hydrogen bonds.