(2,6-diethyl-4-methylphenyl)acetonitrile | 1176272-81-3

• 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: (2,6-diethyl-4-methylphenyl)acetonitrile
• 英文别名: 2,6-Diethyl-4-methylphenylacetonitrile；2-(2,6-diethyl-4-methylphenyl)acetonitrile
• CAS: 1176272-81-3
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: UPRKPCQDNWNODA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2,6-diethyl-4-methylphenyl)acetonitrile 在 硫酸 、 水 作用下， 以97%的产率得到2,6-diethyl-4-methylphenylacetic acid
  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
• 作为产物：
  描述：

  sodium cyanide 、 2,6-diethyl-4-methylbenzyl chloride 在 水 、 正己烷 、 氯化钠 、 magnesium sulfate 作用下， 以 水 、 乙腈 为溶剂， 反应 5.5h， 以to obtain 123.46 g of 2,6-diethyl-4-methylphenylacetonitrile (GC-area: 71%) as a brown oil的产率得到(2,6-diethyl-4-methylphenyl)acetonitrile
  参考文献：
  名称：

  Pyridazinone compound and use thereof

  摘要：

  一种以式(I)表示的吡啶并咪唑酮化合物，其中R1代表C1-6烷基或(C1-6烷氧基)C1-6烷基，R2和R3代表氢或C1-6烷基，W代表卤素等，Z1代表C1-6烷基，Z2代表C1-6烷基、C3-8环烷基等，n代表0、1、2、3或4，具有除草和控制节肢动物的效果。

  公开号：

  US08507410B2

文献信息

• PYRIDAZINONE COMPOUND AND USE THEREOF
  申请人：Fusaka Takafumi

  公开号：US20120028803A1

  公开（公告）日：2012-02-02

  A pyridazinone compound represented by formula (I) wherein R 1 represents a C 1-6 alkyl group or a (C 1-6 alkyloxy) C 1-6 alkyl group, R 2 and R 3 represent hydrogen or a C 1-6 alkyl group, W represents halogen, etc., Z 1 represents a C 1-6 alkyl group, Z 2 represents a C 1-6 alkyl group, a C 3-8 cycloalkyl group, etc., and n represents 0, 1, 2, 3 or 4, has a weed-controlling effect and an arthropod-controlling effect.

  一种以式(I)表示的吡啶酮化合物，其中R1代表C1-6烷基或（C1-6烷氧基）C1-6烷基，R2和R3代表氢或C1-6烷基，W代表卤素等，Z1代表C1-6烷基，Z2代表C1-6烷基，C3-8环烷基等，n代表0、1、2、3或4，具有除草和控制节肢动物的效果。
• US8507410B2
  申请人：——

  公开号：US8507410B2

  公开（公告）日：2013-08-13
• [EN] PYRIDAZINONE COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ PYRIDAZINONE ET SON UTILISATION
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2010104217A1

  公开（公告）日：2010-09-16

  A pyridazinone compound represented by formula (I) wherein R1 represents a C1-6 alkyl group or a (C1- 6 alkyloxy) C1 - 6 alkyl group, R2 and R3 represent hydrogen or a C1 -6 alkyl group, W represents halogen, etc., Z1 represents a C1- 6 alkyl group, Z2 represents a C1-6 alkyl group, a C3 - 8 cycloalkyl group, etc., and n represents 0, 1, 2, 3 or 4, has a weed-controlling effect and an arthropod- controlling effect.
• Aryldiones incorporating a [1,4,5]oxadiazepane ring. Part I: Discovery of the novel cereal herbicide pinoxaden
  作者：Michel Muehlebach、Manfred Boeger、Fredrik Cederbaum、Derek Cornes、Adrian A. Friedmann、Jutta Glock、Thierry Niderman、André Stoller、Trixie Wagner

  DOI：10.1016/j.bmc.2008.12.062

  日期：2009.6

  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.
• Pyridazinone compound and use thereof
  申请人：Fusaka Takafumi

  公开号：US08507410B2

  公开（公告）日：2013-08-13

  A pyridazinone compound represented by formula (I) wherein R1 represents a C1-6 alkyl group or a (C1-6 alkyloxy) C1-6 alkyl group, R2 and R3 represent hydrogen or a C1-6 alkyl group, W represents halogen, etc., Z1 represents a C1-6 alkyl group, Z2 represents a C1-6 alkyl group, a C3-8 cycloalkyl group, etc., and n represents 0, 1, 2, 3 or 4, has a weed-controlling effect and an arthropod-controlling effect.

  一种以式(I)表示的吡啶并咪唑酮化合物，其中R1代表C1-6烷基或(C1-6烷氧基)C1-6烷基，R2和R3代表氢或C1-6烷基，W代表卤素等，Z1代表C1-6烷基，Z2代表C1-6烷基、C3-8环烷基等，n代表0、1、2、3或4，具有除草和控制节肢动物的效果。