1-(3,5-dichlorophenyl)-3-(dimethylamino)-2-propen-1-one | 96604-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,5-dichlorophenyl)-3-(dimethylamino)-2-propen-1-one
• 英文别名: 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-；1-(3,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
• CAS: 96604-27-2
• 化学式: C₁₁H₁₁Cl₂NO
• 分子量: 244.12
• InChiKey: BKUHHZMAJCOLAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3,5-dichlorophenyl)-3-(dimethylamino)-2-propen-1-one 在 N-氯代丁二酰亚胺 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 98.0h， 生成 3-(3,5-dichlorophenyl)-4-chloro-1H-pyrazole
  参考文献：
  名称：

  The structure of the agrochemical fungicidal 4-chloro-3-(3,5-dichlorophenyl)-1H-pyrazole (RPA 406194) and related compounds

  摘要：

  The difficulties to obtain convenient monocrystals of the important fungicide RPA 406194 have been overcome by a combination of solid state C-13 NMR, X-ray powder diffraction and molecular modeling. The compound, a 3-aryl tautomer, crystallizes forming infinite chains of molecules bonded by N-H...N hydrogen bonds, leading to needle-shaped crystals. The tautomerism (equilibrium constant and energy barrier) of this compound in solution has been studied. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01487-4
• 作为产物：
  描述：

  3’,5’-二氯苯乙酮 、 N,N-二甲基甲酰胺二甲基缩醛 反应 2.0h， 以to give 10.0 g (yield 77%, melting point: 100° C.) of 1-(3,5-dichlorophenyl)-3-dimethylamino-2-propen-1-one的产率得到1-(3,5-dichlorophenyl)-3-(dimethylamino)-2-propen-1-one
  参考文献：
  名称：

  Fungicidal arylpyrazoles

  摘要：

  本发明涉及公式（I）的3-芳基吡唑家族的新衍生物，它们的制备方法，包含它们的组合物以及它们在植物保护中对抗真菌病的应用。 ##STR1##

  公开号：

  US05945382A1

文献信息

• [EN] HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES<br/>[FR] 3-ARYLPYRAZOLES SUBSTITUÉS HERBICIDES
  申请人：DU PONT

  公开号：WO2015191377A1

  公开（公告）日：2015-12-17

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, Formula 1 wherein X1, X2, X3, G and Q are as defined in the Summary of the Inverntion; P is P1 or P2; and P1 and P2 are as defined in the Sumary of the Invention. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention. Also disclosed is a herbicidal mixture comprising (a) a compound of Formula 1, and (b) at least one additional active ingredient selected from (b1) through (b16); and salts of compounds of (b1) through (b16), wherein (b1) through (b16) are as defined in the disclosure.

  本发明揭示了公式1的化合物，包括所有立体异构体，N-氧化物和其盐，公式1中X1、X2、X3、G和Q如在发明摘要中定义；P为P1或P2；P1和P2如在发明摘要中定义。此外，本发明还揭示了含有公式1化合物的组合物以及用于控制不良植被的方法，包括将不良植被或其环境与本发明的化合物或组合物的有效量接触。本发明还揭示了除草混合物，包括（a）公式1的化合物和（b）从（b1）到（b16）中选择的至少一种额外活性成分；以及（b1）到（b16）的化合物的盐，其中（b1）到（b16）如在说明中定义。
• Fungicidal arylpyrazoles
  申请人：Rhone-Poulenc Agrochimie

  公开号：US05945382A1

  公开（公告）日：1999-08-31

  The present invention relates to new derivatives of the family of 3-arylpyrazoles of formula (I), their methods of preparation, the compositions containing them and their utilization for the protection of plants against fungal diseases. ##STR1##

  本发明涉及公式（I）的3-芳基吡唑家族的新衍生物，它们的制备方法，包含它们的组合物以及它们在植物保护中对抗真菌病的应用。 ##STR1##
• The structure of the agrochemical fungicidal 4-chloro-3-(3,5-dichlorophenyl)-1H-pyrazole (RPA 406194) and related compounds
  作者：Jean-Pierre Vors、Vincent Gerbaud、Nadine Gabas、Jean Paul Canselier、Nadine Jagerovic、Marı́a Luisa Jimeno、José Elguero

  DOI：10.1016/s0040-4020(02)01487-4

  日期：2003.1

  The difficulties to obtain convenient monocrystals of the important fungicide RPA 406194 have been overcome by a combination of solid state C-13 NMR, X-ray powder diffraction and molecular modeling. The compound, a 3-aryl tautomer, crystallizes forming infinite chains of molecules bonded by N-H...N hydrogen bonds, leading to needle-shaped crystals. The tautomerism (equilibrium constant and energy barrier) of this compound in solution has been studied. (C) 2003 Elsevier Science Ltd. All rights reserved.