1-(2-氨基-3-乙基苯基)乙酮 | 108562-67-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氨基-3-乙基苯基)乙酮
• 英文名称: 2-acetyl-6-ethylaniline
• 英文别名: 1-(2-Amino-3-ethylphenyl)ethanone
• CAS: 108562-67-0
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: HOPFAICNATWMLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  1-(2-氨基-3-乙基苯基)乙酮 在 sodium hydroxide 、 三乙基苯基氯化铵 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 N-(2-acetyl-6-ethylphenyl)-2-chloro-N-(methoxymethyl)acetamide
  参考文献：
  名称：

  Comparative photodegradation rates of alachlor and bentazone in natural water and determination of breakdown products

  摘要：

  AbstractThe photochemical degradation of the herbicides alachlor (2‐chloro‐2′,6′‐diethyl‐N‐methoxymethylacetanilide) and bentazone (3‐isopropyl‐(1H)‐2,1,3‐benzothiadiazin‐4(3H)‐one‐2,2‐dioxide) in distilled water and in river water, under xenon arc lamp irradiation, was investigated. Analytical determinations were carried out by using a xenon arc photoreactor and online solid‐phase extraction coupled to liquid‐chromatography diode‐array and liquid‐chromatography mass‐spectrometry detection systems. Photolysis experiments were performed at low concentration (20 μg/L), and the advantages of this methodology over conventional techniques are discussed. The photodegradation of alachlor and bentazone is a process depending on the water type, humic substances, and pH. When using a solution of 4 mg/L of humic matter, the estimated alachlor and bentazone half‐lives were 84 and 150 min, respectively, using a total irradiance of 550 W/m2 in the range of 300 to 800 nm. The degradation of alachlor and bentazone followed pseudo second‐ and first‐order kinetics, respectively. The major photodegradation products of both herbicides were identified either by on‐line solid‐phase extraction (SPE)‐liquid chromatography‐thermospray mass spectrometry (LC/TSP‐MS) or on‐line‐SPE‐LC/TSP‐tandem mass spectrometry (LC/TSP‐MS/MS). In addition to that, a total of six transformation products of alachlor were synthesized in our laboratory and their MS spectra were compared with those of the breakdown products obtained. After photodegradation, a total of 14 photoproducts resulted from alachlor dechlorination with subsequent hydroxylation and cyclization processes. The two major photoproducts were identified as hydroxy‐alachlor and 8‐ethyl‐1‐methoxymethyl‐4‐methyl‐2‐oxo‐1,2,3,4‐tetrahydroquinone. No significant breakdown products of bentazone could be identified.

  DOI：

  10.1002/etc.5620140805
• 作为产物：
  描述：

  2-乙基苯胺 、 乙腈 在 三氯化铝 、 三氯化硼 、 硫酸 作用下， 以 正庚烷 、 甲苯 为溶剂， 以30%的产率得到1-(2-氨基-3-乙基苯基)乙酮
  参考文献：
  名称：

  Comparative photodegradation rates of alachlor and bentazone in natural water and determination of breakdown products

  摘要：

  AbstractThe photochemical degradation of the herbicides alachlor (2‐chloro‐2′,6′‐diethyl‐N‐methoxymethylacetanilide) and bentazone (3‐isopropyl‐(1H)‐2,1,3‐benzothiadiazin‐4(3H)‐one‐2,2‐dioxide) in distilled water and in river water, under xenon arc lamp irradiation, was investigated. Analytical determinations were carried out by using a xenon arc photoreactor and online solid‐phase extraction coupled to liquid‐chromatography diode‐array and liquid‐chromatography mass‐spectrometry detection systems. Photolysis experiments were performed at low concentration (20 μg/L), and the advantages of this methodology over conventional techniques are discussed. The photodegradation of alachlor and bentazone is a process depending on the water type, humic substances, and pH. When using a solution of 4 mg/L of humic matter, the estimated alachlor and bentazone half‐lives were 84 and 150 min, respectively, using a total irradiance of 550 W/m2 in the range of 300 to 800 nm. The degradation of alachlor and bentazone followed pseudo second‐ and first‐order kinetics, respectively. The major photodegradation products of both herbicides were identified either by on‐line solid‐phase extraction (SPE)‐liquid chromatography‐thermospray mass spectrometry (LC/TSP‐MS) or on‐line‐SPE‐LC/TSP‐tandem mass spectrometry (LC/TSP‐MS/MS). In addition to that, a total of six transformation products of alachlor were synthesized in our laboratory and their MS spectra were compared with those of the breakdown products obtained. After photodegradation, a total of 14 photoproducts resulted from alachlor dechlorination with subsequent hydroxylation and cyclization processes. The two major photoproducts were identified as hydroxy‐alachlor and 8‐ethyl‐1‐methoxymethyl‐4‐methyl‐2‐oxo‐1,2,3,4‐tetrahydroquinone. No significant breakdown products of bentazone could be identified.

  DOI：

  10.1002/etc.5620140805

文献信息

• [DE] SUBSTITUIERTE PHENYLAMINOSULFONYLHARNSTOFFE ALS HERBIZIDE<br/>[EN] SUBSTITUTED PHENYLAMINOSULPHONYL UREAS AS HERBICIDES<br/>[FR] PHENYLAMINOSULFONYLUREES SUBSTITUEES UTILISEES COMME HERBICIDES
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：WO1996010566A1

  公开（公告）日：1996-04-11

  (DE) Die Erfindung betrifft neue substituierte Phenylaminosulfonylharnstoffe der Formel (I), in welcher A z.B. für N oder CH steht, Q z.B. für O oder S steht, R1 und R2 unabhängig voneinander z.B. für C1-C4-Alkyl oder C1-C4-Alkoxy stehen, R3 z.B. für H, Halogen, C1-C4-Alkyl oder C1-C4-Alkoxy steht, R4 und R5 einzeln z.B. für C1-C6-Alkyl oder gemeinsam für C2-C5-Alkandiyl stehen und R6 z.B. für C1-C6-Alkyl steht, sowie Salze von Verbindungen der Formel (I), ein Verfahren zur Herstellung der neuen Verbindungen und deren Verwendung als Herbizide.(EN) The invention relates to novel substituted phenylaminosulphonyl ureas of the formula (I) in which A may be N or CH, Q may be O or S, R1 and R2 are mutually independently e.g. C1-C4 alkyl or C1-C4 alkoxy, R3 may be H, halogen, C1-C4 alkyl or C1-C4 alkoxy, R4 and R5 may be individually C1-C6 alkyl or together C2-C5 alkanediyl, and R6 may be C1-C6 alkyl, and salts of compounds of formula (I), a process for producing the novel compounds and their use as herbicides.(FR) L'invention concerne de nouvelles phénylaminosulfonylurées substituées de formule (I), où A représente par ex. N ou CH; Q représente par ex. O ou S; R1 et R2 représentent indépendamment l'un de l'autre alkyle C1-C4 ou alcoxy C1-C4; R3 représente par ex. H, halogène, alkyle C1-C4 ou alcoxy C1-C4; R4 et R5 représentent individuellement par ex. alkyle C1-C6 ou conjointement alcanediyle C2-C5; R6 représente par ex. alkyle C1-C6. L'invention concerne également des sels de composés de formule (I), un procédé de fabrication de ces nouveaux composés et leur utilisation comme herbicides.

  （DE）发明涉及根据下面所述的公式（I）的新型取代苯氨基砜脲类化合物，其中A例如可以是N或CH，Q例如可以是O或其他S，R1和R2各自相互独立，例如可以是C1-C4的烷基或C1-C4的氧基，R3的例子包括H、卤素、C1-C4的烷基或C1-C4氧基，R4和R5各自分别可以是C1-C6的烷基或其他C2-C5的二元烷基，而R6可以是C1-C6的烷基，同时，该发明还涉及化合物（I）的盐，用于制造新型化合物的方法，以及作为除草剂的这些化合物的用途。（EN）The invention relates to novel substituted phenylaminosulphonyl ureas of the formula (I) in which A may be N or CH, Q may be O or S, R1 and R2 are mutually independently e.g. C1-C4 alkyl or C1-C4 alkoxy, R3 may be H, halogen, C1-C4 alkyl or C1-C4 alkoxy, R4 and R5 may be individually C1-C6 alkyl or together C2-C5 alkanediyl, and R6 may be C1-C6 alkyl, and salts of compounds of formula (I), a process for producing the novel compounds and their use as herbicides.(FR) L'invention concerne de nouvelles phénylaminosulfonylurées substituées de formule (I), où A Represents par ex. N ou CH; Q Represents par ex. O ou S; R1 et R2 Representent indépendemment l'un de l'autre alkyle C1-C4 ou alcoxy C1-C4; R3 Represents par ex. H, halogène, alkyle C1-C4 ou alcoxy C1-C4; R4 et R5 Represents individuellement par ex. alkyle C1-C6 ou jointivementaltenediyle C2-C5; R6 Represents par ex. alkyle C1-C6. L'invention concerne également des sels de composés de formule (I), un procédé de fabrication de ces nouveaux composés et leur utilisation comme herbicides.
• Comparative photodegradation rates of alachlor and bentazone in natural water and determination of breakdown products
  作者：Serge Chiron、Damià Barceló、Joaquin Abian、Marta Ferrer、Francisco Sanchez-Baeza、Angel Messeguer

  DOI：10.1002/etc.5620140805

  日期：1995.8

  AbstractThe photochemical degradation of the herbicides alachlor (2‐chloro‐2′,6′‐diethyl‐N‐methoxymethylacetanilide) and bentazone (3‐isopropyl‐(1H)‐2,1,3‐benzothiadiazin‐4(3H)‐one‐2,2‐dioxide) in distilled water and in river water, under xenon arc lamp irradiation, was investigated. Analytical determinations were carried out by using a xenon arc photoreactor and online solid‐phase extraction coupled to liquid‐chromatography diode‐array and liquid‐chromatography mass‐spectrometry detection systems. Photolysis experiments were performed at low concentration (20 μg/L), and the advantages of this methodology over conventional techniques are discussed. The photodegradation of alachlor and bentazone is a process depending on the water type, humic substances, and pH. When using a solution of 4 mg/L of humic matter, the estimated alachlor and bentazone half‐lives were 84 and 150 min, respectively, using a total irradiance of 550 W/m2 in the range of 300 to 800 nm. The degradation of alachlor and bentazone followed pseudo second‐ and first‐order kinetics, respectively. The major photodegradation products of both herbicides were identified either by on‐line solid‐phase extraction (SPE)‐liquid chromatography‐thermospray mass spectrometry (LC/TSP‐MS) or on‐line‐SPE‐LC/TSP‐tandem mass spectrometry (LC/TSP‐MS/MS). In addition to that, a total of six transformation products of alachlor were synthesized in our laboratory and their MS spectra were compared with those of the breakdown products obtained. After photodegradation, a total of 14 photoproducts resulted from alachlor dechlorination with subsequent hydroxylation and cyclization processes. The two major photoproducts were identified as hydroxy‐alachlor and 8‐ethyl‐1‐methoxymethyl‐4‐methyl‐2‐oxo‐1,2,3,4‐tetrahydroquinone. No significant breakdown products of bentazone could be identified.