4-amino-3-hydroxy-N- (5-methylisoxazol-3-yl)benzenesulfonamide

• 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: 4-amino-3-hydroxy-N- (5-methylisoxazol-3-yl)benzenesulfonamide
• 英文别名: 4-amino-3-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
• 化学式: C₁₀H₁₁N₃O₄S
• 分子量: 269.281
• InChiKey: SSRVHIZTVPBURV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  118.45
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  磺胺甲恶唑 在 iron(III) sulfate 、 sodium hydrogensulfite 作用下， 生成 3-氨基-5-甲基异恶唑 、 3-nitro-5-methylisoxazole 、 5-methyl-3-nitrosoisoxazole 、 4-amino-3-hydroxy-N- (5-methylisoxazol-3-yl)benzenesulfonamide
  参考文献：
  名称：

  A simple Fe³⁺/bisulfite system for rapid degradation of sulfamethoxazole

  摘要：

  基于硫酸根自由基（SO₄˙⁻）的氧化技术已被广泛应用于含有抗生素的废水治理中。

  DOI：

  10.1039/d0ra05962e

文献信息

• Insights into the electrochemical degradation of sulfamethoxazole and its metabolite by Ti/SnO2-Sb/Er-PbO2 anode
  作者：Yanping Wang、Chengzhi Zhou、Jinhua Wu、Junfeng Niu

  DOI：10.1016/j.cclet.2020.03.073

  日期：2020.10

  Electrochemical degradation of sulfamethoxazole (SMX) and its metabolite acetyl-sulfamethoxazole (Ac-SMX) by Ti/SnO2-Sb/Er-PbO2 were investigated. Results indicated that the electrochemical degradation of SMX and Ac-SMX followed pseudo-first-order kinetics. The rate constants of SMX and Ac-SMX were 0.268 and 0.072 min(-1) at optimal current density of 10 and 14 mA/cm(2), respectively. Transformation products of SMX and Ac-SMX were identified and the possible degradation pathways, including the cleavage of S-N bond, opening ring of isoxazole and nitration of amino group, were proposed. Total organic carbon removal of SMX was nearly 63.2% after 3 h electrochemical degradation. 22.4% nitrogen of SMX was transformed to NO3-, and 98.8% sulfur of SMX was released as SO42-. According to quantitative structure-activity relationship model, toxicities of SMX and Ac-SMX to aquatic organisms significantly decreased after electrochemical degradation. Electric energy consumption for 90% SMX and Ac-SMX degradation was determined to be 0.58-8.97 and 6.88-44.19 Wh/L at different experimental conditions, respectively. Compared with parent compound SMX, the metabolite Ac-SMX is more refractory and toxic, which emphasizes the importance of taking its metabolites into account when investigating the disposal of pharmaceuticals from wastewater. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
• Insight into sulfamethoxazole degradation, mechanism, and pathways by AgBr-BaMoO4 composite photocatalyst
  作者：Schindra Kumar Ray、Dipesh Dhakal、Soo Wohn Lee

  DOI：10.1016/j.jphotochem.2018.07.007

  日期：2018.9

  A composite photocatalyst, AgBr-BaMoO4 was fabricated by two step method; microwave hydrothermal and precipitation-deposition. The as prepared photocatalyst samples were characterized by various techniques. The facet coupling was seen between the (204) plane of BaMoO4 and (200)/(222) planes of AgBr on the basis of XRD/HRTEM analysis. The pharmaceutical pollutant, sulfamethoxazole was adopted to investigate the photo catalytic performances of samples under UV-vis irradiation. The AgBr-BaMoO4 composite degraded the aqueous sulfamethoxazole drug in UV-vis light about 64% within 75 min, which was attributed to efficient separation of photogenerated electron-hole pairs across the interface between Ag/AgBr and BaMoO4. The multi-electron induced oxygen reduced reaction (ORR) was observed. The radical trapping experiment indicates that OH center dot has major role for sulfamethoxazole degradation. The four successive photodegradation of sulfamethoxazole in UV-vis light indicates the stability of composite photocatalyst. Furthermore, the three different degradation pathways were designed on the basis of retention time and molecular masses of 18 degraded organic fragments that was confirmed by high-performance liquid chromatography photodiode array (HPLC-PDA) and high resolution-quadruple time of flight electrospray ionization mass spectroscopy (HR-QTOF ESI/MS) techniques. The total organic carbon (TOC) analysis suggested the mineralization of SMZ by composite photocatalyst. This study not only demonstrates the enhancement of photocatalytic performance of wide band gap semiconductor by making composite with narrow band gap semiconductor but also detail degradation pathways and mechanisms of sulfamethoxazole.
• A simple Fe³⁺/bisulfite system for rapid degradation of sulfamethoxazole
  作者：Shixiang Wang、Guangsheng Wang、Yongsheng Fu、Hongbin Wang、Yiqing Liu

  DOI：10.1039/d0ra05962e

  日期：——

  Sulfate radical (SO₄˙⁻) based oxidation technologies have been widely used in the remediation of antibiotic-containing wastewater.

  基于硫酸根自由基（SO₄˙⁻）的氧化技术已被广泛应用于含有抗生素的废水治理中。