2-(2,6-diethyl-4-methylphenyl)hexahydropyrazolo[1,2-a]pyridazine-1,3-dione | 329963-00-0

• 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: 2-(2,6-diethyl-4-methylphenyl)hexahydropyrazolo[1,2-a]pyridazine-1,3-dione
• 英文别名: 2-(2,6-diethyl-4-methylphenyl)-tetrahydro-pyrazolo[1,2-a]pyridazine-1,3-dione；2-(2,6-Diethyl-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
• CAS: 329963-00-0
• 化学式: C₁₈H₂₄N₂O₂
• 分子量: 300.401
• InChiKey: JBULVAWANMIRST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2,6-diethyl-4-methylphenyl)hexahydropyrazolo[1,2-a]pyridazine-1,3-dione 、 三甲基乙酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 [2-(2,6-Diethyl-4-methylphenyl)-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-1-yl] 2,2-dimethylpropanoate
  参考文献：
  名称：

  p-Tolyl-Heterocyclen als Herbizide

  摘要：

  公开号：

  EP1210333B1
• 作为产物：
  描述：

  2-[2-(2,6-diethyl-4-methylphenyl)acetyl]hexahydropyridazine-1-carboxylic acid ethyl ester 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 以28%的产率得到2-(2,6-diethyl-4-methylphenyl)hexahydropyrazolo[1,2-a]pyridazine-1,3-dione
  参考文献：
  名称：

  Aryldiones incorporating a [1,4,5]oxadiazepane ring. Part I: Discovery of the novel cereal herbicide pinoxaden

  摘要：

  Derivatives of the new class of 3-hydroxy-4-phenyl-5-oxo-pyrazolines were optimized towards both herbicidal activity on key annual grass weed species and selectivity in small grain cereal crops. The generic structure can be separated into three parts for the analysis of the structure-activity relationships, namely the aryl, the dione with its prodrug forms and the hydrazine moiety. Each area appears to play distinct and different roles in overall expression of biological performance which is further beneficially influenced by adjuvant response and safener action. Pinoxaden 6, a novel graminicide for use in wheat and barley incorporating a [1,4,5]oxadiazepane ring, eventually emerged as a development candidate from the discovery and optimization process. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.062

文献信息

• Novel herbicides
  申请人：Maetzke Thomas

  公开号：US20050164883A1

  公开（公告）日：2005-07-28

  Compounds of formula wherein the substituents have the meanings given in claim 1, and agronomically tolerable salts, isomers and enantiomers of those compounds, are suitable for use as herbicides.

  式化合物 其中取代基的含义如权利要求 1 所述 1, 以及这些化合物的农艺上可耐受的盐、异构体和对映体，均适合用作除草剂。
• NEUE HERBIZIDE
  申请人：Syngenta Participations AG

  公开号：EP1210333A2

  公开（公告）日：2002-06-05
• US6894005B1
  申请人：——

  公开号：US6894005B1

  公开（公告）日：2005-05-17
• US7459414B2
  申请人：——

  公开号：US7459414B2

  公开（公告）日：2008-12-02
• US7605111B2
  申请人：——

  公开号：US7605111B2

  公开（公告）日：2009-10-20