N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea | 208252-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea
• 英文别名: N-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)urea；(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
• CAS: 208252-67-9
• 化学式: C₆H₉N₅O₂
• 分子量: 183.17
• InChiKey: NEVDMPLXCGERDI-UHFFFAOYSA-N

物化性质

• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 2-氨基-4-甲氧基-6-甲基-1,3,5-三嗪 在 水 作用下， 以 乙腈 为溶剂， 以64 %的产率得到N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea
  参考文献：
  名称：

  10.1039/d4ra01725k

  摘要：

  DOI：

  10.1039/d4ra01725k

文献信息

• Rearrangement products in aqueous photolysis of thifensulfuron methyl
  作者：Ashok K. Sharma、David L. Ryan、Nina L. Marr、Michael P. Wadsley、Steve F. Cheatham

  DOI：10.1016/j.jphotochem.2017.06.028

  日期：2017.9

  Photo-degradation of [14C]-thifensulfuron methyl has been investigated in aqueous media using a light source which simulates sunlight. Degradation of thifensulfuron methyl proceeds predominantly via sulfonylurea bridge ipso-contraction, and via cleavage of the bridge structure, to yield products in which the thiophene and the triazine rings have disconnected. One significant degradation product, which

  [ 14的光降解已经在水性介质中使用模拟阳光的光源研究了C]-噻吩磺隆甲基。噻吩磺隆的降解主要通过磺酰脲桥的ipso收缩和桥结构的裂解进行，以产生噻吩和三嗪环已断开的产物。一种占约10％的重要降解产物保留了两个带有截短桥部分的环。令人惊讶地，该产物具有从其原始位置重排的噻吩环取代基。其他实验室已经报告了噻吩磺隆的光降解，并确定了类似的降解产物。在以前的报道中，由于噻吩环的重排未被广泛认识，因此重排产物的结构被错误地识别。
• Photophysical and photochemical studies of thifensulfuron-methyl herbicide in aqueous solution
  作者：Saâdia Aziz、Stéphane Dumas、Mohammed El Azzouzi、Mohamed Sarakha、Jean-Marc Chovelon

  DOI：10.1016/j.jphotochem.2009.11.017

  日期：2010.1

  By comparing the quenching rate constant (kq = 9.64 × 108 mol−1 l s−1) obtained from triplet state quenching by molecular oxygen and from the Stern–Volmer relation (kq = 0.41 × 108 mol−1 l s−1), the role of the singlet state in the photodegradation process was demonstrated. The photoproducts originating from both singlet and triplet excited states have been identified and hypothetical photodegradation

  已在缓冲水溶液中研究了磺酰脲类除草剂噻吩磺隆甲基（THM）的光物理和光化学研究。在第一部分中，研究了pH对光谱性质的影响。这样就可以确定基态和激发态的酸度常数，分别为p K a  = 4和4.4，因此在单重态下可能存在光诱导质子化。在第二部分中，使用HPK 125 W灯研究了在不同pH和不同氧气浓度下的光解动力学，随后鉴定了在连续光辐照下形成的光产物。动力学结果表明，在酸性条件下，光解过程更快（k  = 3×10 -4 s -1），而不是基本介质（k  = 9.8×10 -5  s -1）。通过高效液相色谱HPLC-DAD，HPLC-MS和HPLC-MS-MS鉴定光解产物。为了更好地了解光降解机理，进行了激光闪光光解研究。通过比较由分子氧进行三重态猝灭和斯特恩-沃尔默关系得到的猝灭速率常数（k q  = 9.64×10 8  mol -1  l s -1）（k q  = 0.41×10 8
• Development of HPLC/ESI-MS and HPLC/¹H NMR Methods for the Identification of Photocatalytic Degradation Products of Iodosulfuron
  作者：Mohamad Sleiman、Corinne Ferronato、Bernard Fenet、Robert Baudot、Farouk Jaber、Jean-Marc Chovelon

  DOI：10.1021/ac051836t

  日期：2006.5.1

  In the present study, HPLC/ESI-MS and stopped-flow HPLC/1H NMR methods were developed and applied to separate and characterize the byproducts arising from TiO2-catalyzed photodegradation of the herbicide iodosulfuron methyl ester (IOME) in aqueous solution under UV irradiation. Prior to identification, irradiated solutions of IOME (200 and 1000 mg·L-1) were concentrated by solid-phase extraction using two cartridges:  Isolute C18 and Isolute ENV+. Analytical separation was achieved on a C18 reversed-phase column with ACN/H2O (HPLC/MS) or ACN/D2O (HPLC/NMR) as mobile phase and a linear gradient with a chromatographic run time of 35 min. The combination of UV and MS data allowed the structural elucidation of more than 20 degradation products, whereas 1H NMR data permitted an unequivocal confirmation of the identities of major products and the differentiation of several positional isomers, in particular, the hydroxylation isomers. The obtained results permitted us to propose a possible degradation scheme and to put in evidence the presence of privileged sites for the attack of OH radicals. This work shows, for the first time, the application of combined HPLC with UV, MS, and NMR detection for complete structural elucidation of photocatalytic degradation products, and it will be of particular value in studies on the elimination of pollutants in aqueous solutions by photocatalysis.

  在本研究中，我们开发并应用了HPLC/ESI-MS和停止流动HPLC/1H NMR方法，用于分离和表征在紫外辐射下TiO2催化除草剂碘磺隆甲酯（IOME）在水溶液中光降解产生的副产物。在鉴定之前，使用两个固相萃取柱（Isolute C18和Isolute ENV+）对辐照后的IOME溶液（200和1000 mg·L-1）进行浓缩。在C18反相色谱柱上，以ACN/H2O（HPLC/MS）或ACN/D2O（HPLC/NMR）为流动相，进行线性梯度分析分离，色谱运行时间为35分钟。通过结合UV和MS数据，我们阐明了20多种降解产物的结构，而1H NMR数据则可以明确地确认主要产物的身份，并区分几种位置异构体，特别是羟基化异构体。通过获得的结果，我们提出了一个可能的降解方案，并证明了存在OH自由基攻击的优先位点。这项工作首次展示了将HPLC与UV、MS和NMR检测相结合，用于光催化降解产物的完整结构解析，它将在光催化消除水溶液中污染物研究中具有特殊价值。
• Improved glyphosate formulations
  申请人：MONSANTO COMPANY

  公开号：EP0378985A1

  公开（公告）日：1990-07-25

  The invention relates to a dry agriculturally acceptable herbicidal composition comprising a water soluble salt of N-phosphono­methylglycine as a water-dispersible granule, water soluble granule, or water-dispersible powder or water soluble powder. The composition comprises a water soluble salt of N-phosphonomethylglycine and additionally one or more liquid surfactants. Compositions of this invention may further comprise ammonium sulfate, potassium sulfate, potassium chloride, sodium sulfate, urea, mixtures thereof and the like. The composition may optionally include a synergist, quick-burn additive, a humectant, a co-herbicide, a dye, pigment, corrosion inhibitor, thickener, dispersing agent, calcium sequestrant, defoamer, mixtures thereof and the like.

  本发明涉及一种干燥的农业上可接受的除草组合物，该组合物包含 N-膦酰基甘氨酸的水溶性盐，为水分散粒剂、水溶性粒剂或水分散粉剂或水溶性粉剂。组合物包括 N-膦酰甲基甘氨酸的水溶性盐和一种或多种液体表面活性剂。 本发明的组合物还可包括硫酸铵、硫酸钾、氯化钾、硫酸钠、尿素、它们的混合物等。本发明组合物还可选择包括增效剂、速燃添加剂、保湿剂、杀草剂、染料、颜料、缓蚀剂、增稠剂、分散剂、钙螯合剂、消泡剂、其混合物等。
• Simulated Sunlight-Induced Photodegradations of Triasulfuron and Cinosulfuron in Aqueous Solutions
  作者：E. Vulliet、C. Emmelin、M. F. Grenier-Loustallot、O. Païssé、J. M. Chovelon

  DOI：10.1021/jf010948s

  日期：2002.2.1

  To elucidate the photochemical behavior of two sulfonylureas (cinosulfuron and triasulfuron) for which the chemical formulas are relatively close, their photodegradation was studied in water. All experiments were carried out under laboratory conditions using a xenon arc lamp as the source of radiation to simulate environmental conditions. Polychromatic quantum efficiencies were calculated to determine the photochemical pesticide lifetimes at pH 7, and a comparison with hydrolysis lifetimes has been performed. The results obtained showed clearly that at pH 7, photodegradation becomes a more important pathway than chemical degradation. HPLC-DAD was used to study the kinetics for both sulfonylureas and their photoproducts, whereas HPLC-MS (ESI in positive and negative modes) was used to identify photoproducts. These results suggest that the photodegradation of these two sulfonylureas proceeds via a number of reaction pathways: (1) cleavage of the sulfonylurea bridge; (2) desulfonylation, which can proceed either by a carbon-sulfur cleavage or a nitrogen-sulfur cleavage; (3) O-demethylation of methoxy moieties present on the triazine ring; and (4) O-dealkylation of benzene derivatives. In addition, it was found that the desulfonylation represented the main step and that it was wavelength dependent.