甲基4-羟基-2-{[(4-甲氧基-6-甲基-1,3,5-三嗪-2-基)氨基甲酰]氨磺酰}苯酸酯 | 102394-28-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 甲基4-羟基-2-{[(4-甲氧基-6-甲基-1,3,5-三嗪-2-基)氨基甲酰]氨磺酰}苯酸酯
• 英文名称: methyl 4-hydroxy-2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
• 英文别名: Methyl 4-hydroxy-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
• CAS: 102394-28-5
• 化学式: C₁₄H₁₅N₅O₇S
• 分子量: 397.368
• InChiKey: YDQFJWNPRLHOFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  methyl 4-nitro-2-sulfamoylbenzoate 在 三乙烯二胺 、 sodium nitrate 、 草酰氯 、 硫酸 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 丙酮 、 甲苯 为溶剂， 反应 10.67h， 生成 甲基4-羟基-2-{[(4-甲氧基-6-甲基-1,3,5-三嗪-2-基)氨基甲酰]氨磺酰}苯酸酯
  参考文献：
  名称：

  10.1039/d4ra01725k

  摘要：

  DOI：

  10.1039/d4ra01725k

文献信息

• Abiotic Degradation of Iodosulfuron-methyl-ester in Aqueous Solution
  作者：M. Brigante、C. Emmelin、L. Previtera、R. Baudot、J. M. Chovelon

  DOI：10.1021/jf050211t

  日期：2005.6.1

  The abiotic degradation of iodosulfuron-methyl-ester was investigated under both alkaline and acidic pH conditions in the dark, and results showed it to be a rather stable molecule in neutral or slightly alkaline environments. Photochemical reactions were studied using a high-pressure mercury arc lamp, and results showed that direct phototransformation is possible under normal environmental conditions (lambda > 290 nm). High-performance liquid chromatography (HPLC-UV and HPLC-MS) analyses were used to identify the degradates and to study the kinetics of photodecom position and hydrolysis. Five main products of iodosulfuron-methyl-ester degradation were tentatively identified, and one of them (4-methoxy-6-methyl-1,3,5-triazin-2-amine) was confirmed using an authentic standard. Among the phototransformation mechanisms, photosubstitution of the iodide atom by a hydroxyl group, photodissociation of the N-S bond, and photoassisted hydrolysis were observed. The quantum efficiencies (multiwavelength quantum yield) of the photodegradation under different conditions were determined, and values of 0.054 +/- 0.02 (pH 9.6), 0.08 +/- 0.02 (pH 7), and 0.044 +/- 0.008 (pH 5.3) were obtained.
• 10.1039/d4ra01725k
  作者：Rakowiecki, Marcin、Studzińska, Sylwia、Ścianowski, Jacek、Bosiak, Mariusz J.、Wolan, Andrzej、Budny, Marcin

  DOI：10.1039/d4ra01725k

  日期：——