脱甲基-抗蚜威 | 30614-22-3

• 物质功能分类: 分析化学 - 标准品 - 农残、兽药及化肥类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 脱甲基-抗蚜威
• 中文别名: 脱甲基抗蚜威
• 英文名称: 2-(methylamino)-5,6 dimethylpyrimidin-4-yl dimethylcarbamate
• 英文别名: 2-(methylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate；2-(methylamino)-5,6-dimethylpyrimidin-4-yldimethylcarbamate；2-Methylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate；pirimicarb-desmethyl；4-dimethylcarbamoyloxy-5,6-dimethyl-2-methylamino-pyrimidine；5,6-Dimethyl-2-(methylamino)-4-pyrimidinyl dimethylcarbamate；[5,6-dimethyl-2-(methylamino)pyrimidin-4-yl] N,N-dimethylcarbamate
• CAS: 30614-22-3
• 化学式: C₁₀H₁₆N₄O₂
• 分子量: 224.263
• InChiKey: GTKRZJVAXAQBMB-UHFFFAOYSA-N

物化性质

• 沸点：
  377.6±52.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）
• 保留指数：
  1826.6

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  T,N
• 安全说明：
  S26,S45,S60,S61
• 危险类别码：
  R25,R36/37/38,R50/53
• WGK Germany：
  3
• 危险品运输编号：
  UN2810 6.1/PG 2
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  脱甲基-抗蚜威 在 phosphate buffer 作用下， 以 水 为溶剂， 生成 2-(amino)-5,6-dimethylpyrimidin-4-yldimethylcarbamate 、 2-(formylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate
  参考文献：
  名称：

  Photodegradation of Pesticides. Photolysis Rates and Half-Life of Pirimicarb and Its Metabolites in Reactions in Water and in Solid Phase

  摘要：

  The photodegradation of Pirimicarb under three different artificial lights and sunlight was studied in water solutions (buffers pH 5, 6, and 7) and in solid phase. Five photocompounds were formed in solution and two in solid phase. Pirimicarb undergoes fast degradation under all conditions. In buffer solutions it first gave three compounds with a kinetic parallel process. These compounds were assigned the structures of 2-[(methylformyl)amino]-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (II), 2-(methylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (III), and 2-(dimethylamino)-5,6-dimethyl-4-hydroxypyrimidine (V). V and II were stable to further photolysis (the latter with t(1/2) = 849 h) where as III undergoes further degradation to 2-amino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (IV), and to 2-(formylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (IX). Both compounds were photodegraded to undetectable species, and IX shows a very high t(1/2) (48 h). A different behavior was found in solid phase, and only II and III were formed. A kinetic parallel process was demonstrated. The environmental t(1/2) and t(1/100) calculated for Pirimicarb and its photoproducts suggest their reduced persistence in natural waters.

  DOI：

  10.1021/jf9501711
• 作为产物：
  描述：

  抗蚜威 生成 脱甲基-抗蚜威 、 5,6-二甲基-2-(N-甲酰基甲氨基)-4-嘧啶基二甲基氨基甲酸酯
  参考文献：
  名称：

  Photodegradation of Pesticides. Photolysis Rates and Half-Life of Pirimicarb and Its Metabolites in Reactions in Water and in Solid Phase

  摘要：

  The photodegradation of Pirimicarb under three different artificial lights and sunlight was studied in water solutions (buffers pH 5, 6, and 7) and in solid phase. Five photocompounds were formed in solution and two in solid phase. Pirimicarb undergoes fast degradation under all conditions. In buffer solutions it first gave three compounds with a kinetic parallel process. These compounds were assigned the structures of 2-[(methylformyl)amino]-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (II), 2-(methylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (III), and 2-(dimethylamino)-5,6-dimethyl-4-hydroxypyrimidine (V). V and II were stable to further photolysis (the latter with t(1/2) = 849 h) where as III undergoes further degradation to 2-amino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (IV), and to 2-(formylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate (IX). Both compounds were photodegraded to undetectable species, and IX shows a very high t(1/2) (48 h). A different behavior was found in solid phase, and only II and III were formed. A kinetic parallel process was demonstrated. The environmental t(1/2) and t(1/100) calculated for Pirimicarb and its photoproducts suggest their reduced persistence in natural waters.

  DOI：

  10.1021/jf9501711

文献信息

• Environmental application of an industrial waste as catalyst for the electro-Fenton-like treatment of organic pollutants
  作者：Elena Alfaya、Olalla Iglesias、Marta Pazos、Maria Angeles Sanromán

  DOI：10.1039/c4ra15934a

  日期：——

  The application of acid mine drainage sludge (AMDS), an industrial waste with high metal content, as catalyst for the electro-Fenton-like technology on the treatment of organic polluted effluents has been investigated.

  酸性矿山排水污泥（AMDS）作为含有高金属含量的工业废物，在处理有机污染废水方面作为电-Fenton类技术的催化剂的应用已经被研究。
• Electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US11169128B2

  公开（公告）日：2021-11-09

  Disclosed is an electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap. The electronic ID database includes a collection of various pesticides compound electronic ID information, intelligent matching values and collision energies. It is ordered according to the retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, adduct ions information, fragment ions information, collision energies, and the optimal full scan mass spectrum. The detection method includes sample pre-treatment, setting LC-Q-Orbitrap operating conditions and sample pesticide residue screening. Setting LC-Q-Orbitrap operating conditions contain setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find pesticide compounds electronic ID database. If matching, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is same, the result is recorded and displayed, and the screening is completed.

  本发明公开了一种基于 LC-Q-Orbitrap 的食用农产品中农药化合物电子 ID 数据库及检测方法。电子 ID 数据库包括各种农药化合物电子 ID 信息、智能匹配值和碰撞能量的集合。它根据电子 ID 的保留时间进行排序。电子 ID 包含农药化合物信息、保留时间、加成离子信息、碎片离子信息、碰撞能量和最佳全扫描质谱。检测方法包括样品预处理、设置 LC-Q-Orbitrap 运行条件和样品农药残留筛选。设置 LC-Q-Orbitrap 运行条件包括设置合适的色谱和质谱条件。在农药残留筛选程序中，首先利用保留时间查找农药化合物电子 ID 数据库。如果匹配，则提取相应的电子 ID 信息。然后比较智能匹配值，如果相同，则记录并显示结果，完成筛选。
• Electronic ID database and detection method for pesticide compounds in edible Agro-products based on GC-Q-Orbitrap
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US11181512B2

  公开（公告）日：2021-11-23

  Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pretreatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.

  本发明公开了一种基于 GC-Q-Orbitrap 的食用农产品中农药化合物电子 ID 数据库和检测方法。电子标识数据库包括各种农药化合物电子标识信息的集合，并根据电子标识中的保留时间进行排序。电子 ID 包含农药化合物信息、保留时间、质谱、碎片离子信息和智能匹配值。检测方法包括样品前处理程序、GC-Q-Orbitrap 操作条件设置和样品中农药残留筛选程序，其中 GC-Q-Orbitrap 操作条件设置包括设置合适的色谱和质谱条件。在农药残留筛选程序中，首先利用保留时间在电子 ID 数据库中查找农药化合物。如果匹配，则提取相应的电子 ID 信息。然后比较智能匹配值，如果小于阈值，则记录并显示结果，完成筛选。
• Photocatalytic oxidation of pirimicarb in aqueous slurries containing binary and ternary oxides of zinc and titanium
  作者：José Fenoll、Isabel Garrido、Pilar Hellín、Pilar Flores、Nuria Vela、Simón Navarro

  DOI：10.1016/j.jphotochem.2014.10.014

  日期：2015.2

  The photocatalytic degradation of pirimicarb in pure water has been studied using zinc oxide (ZnO), titanium dioxide (TiO2) and zinc titanates (Zn2TiO4 and ZnTiO3) under artificial light (300-460 nm) irradiation. Comparison of catalysts showed that TiO2 is the most efficient for the removal of pirimicarb and their transformation products. To obtain a better understanding of the mechanistic details of these ZnO-TiO2-assisted photodegradation of pirimicarb, the transformation products of the processes were identified by liquid chromatography tandem mass spectrometry (LC-MS2) and liquid chromatography time of flight mass spectrometry (LC-TOF/MS) techniques. The probable photodegradation pathways are proposed and discussed. The main steps involved: N-dealkylation of the 2-dimethylamino group to form the carbamate and decarbamoylation of the carbamate moiety with further N-dealkylation of the 2-dimethylamino group to have the hydroxypyrimidines. (C) 2014 Elsevier B.V. All rights reserved.
• NOVEL PHOSPHOTRIESTERASE ENZYMES, METHODS AND COMPOSITIONS RELATED THERETO
  申请人：Polytechnic Institute of New York University

  公开号：US20160083702A1

  公开（公告）日：2016-03-24

  The instant invention provides methods and related compositions for identifying polypeptides with improved stability and/or enzymatic activity in comparison to native forms, wherein the identified polypeptides comprise one or more non-natural amino acids. In certain embodiments, the present invention relates to novel phosphotriesterase enzymes comprising one or more non-natural amino acids. In a particular embodiment, the instant invention provides novel phosphotriesterase enzymes with greater stability and/or enhanced activity in comparison to native forms of the enzyme. The present invention also relates to compositions comprising novel phophotriesterase enzymes, such as prophylactics, decontaminants, animal feedstocks, and assay kits.

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