tetrabutylammonium dihydrogen arsenate | 41623-46-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tetrabutylammonium dihydrogen arsenate
• CAS: 41623-46-5
• 化学式: AsH₂O₄*C₁₆H₃₆N
• 分子量: 383.404
• InChiKey: IVYNOHFNAWXSBY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.59
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-Phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea 、 tetrabutylammonium dihydrogen arsenate 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts

  摘要：

  Hosts with thiourea groups bind anions by formation of multiple hydrogen bonds. This contribution discusses how spacers linking two or four thiourea groups affect the host affinity and selectivity. While most of the bis-thioureas bind H2PO4- preferentially, the extent of selectivity over chloride, acetate, and H2AsO4- is determined by the size of the binding cavity. A tetrakis-thiourea is shown to exhibit a unique H2AsO4- selectivity, and the discrimination of chloride is enhanced by specific solvation in dimethyl sulfoxide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.026
• 作为产物：
  描述：

  以 氘代四氢呋喃 、 氘代二甲亚砜 为溶剂， 生成 tetrabutylammonium dihydrogen arsenate 、 1,1'-(((((((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonothioyl))bis(azanediyl))bis(methylene))bis(3,1-phenylene))bis(methylene))bis(3-phenylthiourea)
  参考文献：
  名称：

  Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts

  摘要：

  Hosts with thiourea groups bind anions by formation of multiple hydrogen bonds. This contribution discusses how spacers linking two or four thiourea groups affect the host affinity and selectivity. While most of the bis-thioureas bind H2PO4- preferentially, the extent of selectivity over chloride, acetate, and H2AsO4- is determined by the size of the binding cavity. A tetrakis-thiourea is shown to exhibit a unique H2AsO4- selectivity, and the discrimination of chloride is enhanced by specific solvation in dimethyl sulfoxide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.026

文献信息

• Electroactive Anion Receptor with High Affinity for Arsenate
  作者：Samuel I. Etkind、Douglas A. Vander Griend、Timothy M. Swager

  DOI：10.1021/acs.joc.0c01206

  日期：2020.8.7

  phosphate is rare among both proteins and synthetic receptors, and though the origin of selectivity is not known, exploiting the difference in the binding stoichiometry represents an underexplored avenue toward developing receptors that can differentiate between the two anions. Additional analysis by 1H NMR in 1:3 CD2Cl2/MeCN-d3 found a strong dependence of anion binding stoichiometry with the solvent employed

  在这里，我们介绍了大环聚酰胺笼的合成和表征，该笼结合了氧化还原活性的1,4-二硫代单元。UV / VIS在乙腈8个阴离子滴定实验显示高亲和力用于h 2 ASO 4 -（β日志2 = 10.4 -0.4 0.4）和HCO 3 - （日志β 2 = 8.3 -0.4 0.3）比其它普通阴离子客人，例如Cl –（log  K 1：1 = 3.20 –0.02 +0.03），HSO 4 –（log  K 1：1 = 3.57 –0.03 +0.02）和H 2 PO 4 –（log  K 1：1 = 4.24 –0.04 +0.05），通过选择性形成HG 2配合物形成。在蛋白质和合成受体中，砷酸根对磷酸根的识别都很少见，尽管选择性的起源尚不清楚，但利用结合化学计量学的差异代表了一种未开发的途径，可以开发能够区分两种阴离子的受体。通过1 H NMR在1：3 CD 2 Cl 2 / MeCN- d 3中