p-nitrophenyl phosphorothioate | 18429-96-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: p-nitrophenyl phosphorothioate
• 英文别名: parathion；Thiophosphorsaeure-O-<4-nitro-phenylester>；O-(p-Nitrophenyl)-thiophosphat；thiophosphoric acid O-(4-nitro-phenyl ester)；(4-nitrophenoxy)-sulfanylphosphinic acid
• CAS: 18429-96-4
• 化学式: C₆H₆NO₅PS
• 分子量: 235.157
• InChiKey: RAVGVZKLFHNYBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  408.0±47.0 °C(Predicted)
• 密度：
  1.627±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  p-nitrophenyl phosphorothioate 在 glycine buffer 、 水 作用下， 生成 对硝基苯酚 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  硫代磷酸酯和磷酸单酯转移反应的比较：活化参数、溶剂效应和金属离子的效应

  摘要：

  已经研究了硫代磷酸酯单酯对硝基苯基硫代磷酸酯 (pNPPT) 的水解反应的热力学、pH 依赖性、溶剂效应和二价金属离子的影响，并与相应的磷酸酯单酯对硝基苯基磷酸酯 (pNPP) 的水解反应进行了比较。 ）。pNPPT 水解的 pH 依赖性反映了典型磷酸单酯的 pH 依赖性，其中单阴离子是最具活性的物质。pNPPT 水解的速率常数与 pNPP 的速率常数之比对于单阴离子反应为 1380，对于 39°C 下的双阴离子反应为 12.6。pNPPT 双阴离子在水中水解的活化自由能为 27.9 kcal/mol，而 pNPP 为 29.5 kcal/mol；对于单阴离子反应，pNPPT 的值为 22.2 kcal/mol，pNPP 的值为 26.8 kcal/mol。尽管硫与氧的氢键能力较差，但 pNPPT 和 pNPP 的溶剂化自由能彼此相差在 0.1 kcal/mol 以内。这种基态能量的最小差异

  DOI：

  10.1021/ja983862x
• 作为产物：
  描述：

  甲基对硫磷 在 lead(II) nitrate 作用下， 以 甲醇 、 水 为溶剂， 生成 p-nitrophenyl phosphorothioate 、 去甲基-甲基对硫磷
  参考文献：
  名称：

  Divalent Metal Ion-Catalyzed Hydrolysis of Phosphorothionate Ester Pesticides and Their Corresponding Oxonates

  摘要：

  The divalent metal ion-catalyzed hydrolysis of thionate (P=S) and oxonate (P=O) organophosphorus pesticides has been examined in light of three possible catalysis mechanisms: (1) metal ion coordination of the thionate sulfur or oxonate oxygen to enhance the electrophilicity of the phosphorus electrophilic site; (2) metal ion coordination and induced deprotonation of water to create a reactive nucleophile; and (3) metal ion coordination of the leaving group to facilitate its exit. The effect of the following metals at a concentration of 1 mM was examined: COII, Ni-II, Cu-II, Zn-II and Pb-II. These metal ions were chosen for their ability to complex organic ligands and inorganic nucleophiles. Of these metal ions, Cu-II possesses properties most suitable for all three catalytic mechanisms and serves as the most effective catalyst for the five thionate esters (chlorpyrifos-methyl, zinophos, diazinon, parathion-methyi, and ronnel) and the two oxonate esters (chlorpyrifos-methyl oxon and paraoxon) included in this study. A decrease in the degree of Cu-II catalysis at high pH arises from solubility limitations. Pb-II nearly matches Cu-II as a catalyst for oxonate esters, but is a less effective catalyst for thionate esters. Catalysis by Co-II, Ni-II, and Zn-II is negligible. Phenolate product analysis indicates that metal catalysis in some instances shifts hydrolysis from alkyl carbon-centered pathways to phosphorus-centered pathways.

  DOI：

  10.1021/es960499q

文献信息

• Furfural derivatives as a vehicle
  申请人：RHODIA OPERATIONS

  公开号：US20160000066A1

  公开（公告）日：2016-01-07

  The present invention concerns the use of a furfural derivative of formula (I) in which R represents (i) a —CH═CR′ 1 —COR 1 group, a group a group a group or a —CHO and R′ represents a hydrogen atom or a (C 1 -C 4 )alkyl group, as a chemical vehicle, as a solvent, co-solvent, coalescing agent, crystallization inhibitor, plasticising agent, degreasing agent, etchant, cleaning agent or agent for increasing biological activity, and more particularly as a solvent. It also concerns phytosanitary formulations or resin-solubilising formulations comprising at least one such furfural derivative of formula (I).

  本发明涉及将式(I)中R代表(i) -CH═CR′1-COR1基团，一个基团，一个基团，或-CHO，R′代表氢原子或(C1-C4)烷基基团的糠醛衍生物用作化学载体、溶剂、共溶剂、凝聚剂、结晶抑制剂、增塑剂、脱脂剂、蚀刻剂、清洁剂或增加生物活性的剂，更特别地作为溶剂。还涉及包含至少一种上述式(I)的糠醛衍生物的植物保健配方或树脂溶解配方。
• New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0274546A1

  公开（公告）日：1988-07-20

  The present invention relates to novel cinna­mamide compounds and oxazolinone compounds and processes for the preparation thereof. The compounds of the invention are useful for controlling insects and acarina and the oxazolinone also are useful intermediates in the prepa­ration of the cinnamamide insecticides and acaricides.

  本发明涉及新型肉桂酰胺化合物和噁唑烷酮化合物以及其制备方法。该发明的化合物对控制昆虫和螨虫具有用途，而噁唑烷酮也是肉桂酰胺类杀虫剂和螨虫剂的制备中间体。
• [EN] AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS<br/>[FR] DERIVES D'AMINOACETONITRILE ET LEUR UTILISATION POUR LUTTER CONTRE LES PARASITES CHEZ LES ANIMAUX HOMEOTHERMES
  申请人：NOVARTIS AG

  公开号：WO2005121075A1

  公开（公告）日：2005-12-22

  The invention relates to compounds of the general formula (I) wherein Ar, R1, R2, R3, R4, R5, R6, R7, R8, R9, R1o, W, a, b, m, n, o and p are as defined in claim 1, and to any enantiomers thereof. The active ingredients have advantageous pesticidal properties. They are particularly suitable for controlling parasites in warm-blooded animals.

  该发明涉及一般式（I）的化合物，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9、R1o、W、a、b、m、n、o和p如权利要求1中所定义，并涉及其任何对映体。这些活性成分具有有利的杀虫性能。它们特别适用于控制温血动物体内的寄生虫。
• N-acylaminoacetonitrile derivatives and their use for controlling parasites
  申请人：Ducray Pierre

  公开号：US20050182127A1

  公开（公告）日：2005-08-18

  The invention relates to compounds of the general formula in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , W, X, A 1 , A 2 , a, b and c are as defined in the specification, and to any enantiomers thereof. The active ingredients have advantageous pesticidal properties. They are particularly suitable for controlling parasites in warm-blooded animals.

  本发明涉及一般式化合物，其中R1，R2，R3，R4，R5，R6，W，X，A1，A2，a，b和c如规范中所定义，并且包括任何对映体。这些活性成分具有优越的杀虫性能。它们特别适用于控制温血动物身上的寄生虫。
• Amidoacetonitrile derivatives
  申请人：Ducray Pierre

  公开号：US20050059736A1

  公开（公告）日：2005-03-17

  The invention relates to compounds of the general formula (I), in which Ar, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , W, a, b and n are as defined in claim 1, and to any enantiomers thereof The active ingredients have advantageous pesticidal properties. They are particularly suitable for controlling parasites in warm-blooded animals.

  该发明涉及一般式（I）的化合物，其中Ar，R1，R2，R3，R4，R5，R6，R7，R8，W，a，b和n如权利要求1所定义，并涉及其任何对映体。这些活性成分具有有利的杀虫性能。它们特别适用于控制温血动物的寄生虫。