2-bromo-1-(3,4-dichlorophenyl)-2-methylpropan-1-one | 875916-51-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
• 英文别名: α-bromo-3,4-dichloroisobutyrophenone
• CAS: 875916-51-1
• 化学式: C₁₀H₉BrCl₂O
• 分子量: 295.991
• InChiKey: PHLCOZNKCZTJSX-UHFFFAOYSA-N

物化性质

• 沸点：
  349.0±32.0 °C(Predicted)
• 密度：
  1.548±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3,4-dichlorophenyl)-2-methylpropan-1-one 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 α-azide-3,4-dichloroisobutyrophenone
  参考文献：
  名称：

  [EN] FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE
  [FR] COMPOSITION FONGICIDE CONTENANT UN DÉRIVÉ D'AMIDE D'ACIDE

  摘要：

  传统的许多杀真菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，控制植物病害的效果往往不足，因此需要一种能够克服这些问题的杀真菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐的杀真菌组合物作为活性成分：其中A是苯基，可能被取代，苄基，可能被取代，萘基，可能被取代，杂环环，可能被取代，融合的杂环环，可能被取代，或类似物；B是可能被取代的杂环环，融合的可能被取代的杂环环，或可能被取代的萘基；R1和R2各自独立的，是烷基，或类似物；R3是氢，或类似物；W1和W2各自独立的，是氧或硫。

  公开号：

  WO2006016708A1
• 作为产物：
  描述：

  1-(3,4-dichlorophenyl)-2-methylpropan-1-one 在 phenyltrimethylammonium tribromide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-bromo-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
  参考文献：
  名称：

  [EN] FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE
  [FR] COMPOSITION FONGICIDE CONTENANT UN DÉRIVÉ D'AMIDE D'ACIDE

  摘要：

  传统的许多杀真菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，控制植物病害的效果往往不足，因此需要一种能够克服这些问题的杀真菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐的杀真菌组合物作为活性成分：其中A是苯基，可能被取代，苄基，可能被取代，萘基，可能被取代，杂环环，可能被取代，融合的杂环环，可能被取代，或类似物；B是可能被取代的杂环环，融合的可能被取代的杂环环，或可能被取代的萘基；R1和R2各自独立的，是烷基，或类似物；R3是氢，或类似物；W1和W2各自独立的，是氧或硫。

  公开号：

  WO2006016708A1

文献信息

• Optimization of pyrazole-containing 1,2,4-triazolo-[3,4-b]thiadiazines, a new class of STAT3 pathway inhibitors
  作者：Matthew G. LaPorte、Zhuzhu Wang、Raffaele Colombo、Atefeh Garzan、Vsevolod A. Peshkov、Mary Liang、Paul A. Johnston、Mark E. Schurdak、Malabika Sen、Daniel P. Camarco、Yun Hua、Netanya I. Pollock、John S. Lazo、Jennifer R. Grandis、Peter Wipf、Donna M. Huryn

  DOI：10.1016/j.bmcl.2016.06.017

  日期：2016.8

  studies of a 1,2,4-triazolo-[3,4-b]thiadiazine scaffold, identified in an HTS campaign for selective STAT3 pathway inhibitors, determined that a pyrazole group and specific aryl substitution on the thiadiazine were necessary for activity. Improvements in potency and metabolic stability were accomplished by the introduction of an α-methyl group on the thiadiazine. Optimized compounds exhibited anti-proliferative

  在1,2-，3,4-三唑并[3,4- b ]噻二嗪支架上的结构-活性关系研究在针对选择性STAT3途径抑制剂的HTS运动中确定，确定吡唑基和噻二嗪上的特定芳基取代是必要的活动。通过在噻二嗪上引入α-甲基来实现效力和代谢稳定性的改善。优化的化合物表现出抗增殖活性，磷酸化的STAT3水平降低以及对STAT3目标基因的影响。这些化合物代表了针对STAT3途径的进一步药物发现努力的起点。
• Fungicidal Composition Containing Acid Amide Derivative
  申请人：Nakamura Yuji

  公开号：US20080318779A1

  公开（公告）日：2008-12-25

  Conventional many fungicidal compositions have had practical problems such that either a preventive effect or a curing effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing an acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzyl which may be substituted, naphthyl which may be substituted, heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or the like; B is heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or naphthyl which may be substituted; each of R 1 and R 2 which are independent of each other, is alkyl, or the like; R 3 is hydrogen, or the like; each of W 1 and W 2 which are independent of each other, is oxygen or sulfur.

  传统的许多杀菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果倾向于不足，或者根据应用场所，对植物疾病的控制效果倾向于不足，因此需要一种克服这些问题的杀菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐作为活性成分的杀菌组合物：其中，A是苯基，可以是取代的苯基，苄基，可以是取代的苄基，萘基，可以是取代的萘基，杂环环，可以是取代的杂环环，融合的杂环环，可以是取代的融合的杂环环或类似物；B是杂环环，可以是取代的融合的杂环环或取代的萘基；R1和R2各自独立地是烷基或类似物；R3是氢或类似物；W1和W2各自独立地是氧或硫。
• FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE
  申请人：Nakamura Yuji

  公开号：US20100222337A1

  公开（公告）日：2010-09-02

  Conventional fungicidal compositions have had practical problems such that either a preventive effect or a curative effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing a carboxylic acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzodioxolanyl which may be substituted, or benzodioxanyl which may be substituted; B is 2- or 3-pyridyl which may be substituted; each of R 1 and R 2 is alkyl, or R 1 and R 2 may together form a 3- to 6-membered saturated carbon ring, provided that when B is 3-pyridyl which may be substituted, A is phenyl substituted by at least two substituents.

  传统的杀菌剂组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，对植物疾病的控制效果往往不足，因此需要一种克服这些问题的杀菌剂组合物。本发明提供了一种含有式(I)的羧酸酰胺衍生物或其盐作为活性成分的杀菌剂组合物：其中A是苯基，可以是取代的苯基，苯并二氧杂环基，可以是取代的苯并二氧杂环基，或苯并二氧杂环基，可以是取代的苯并二氧杂环基；B是2-或3-吡啶基，可以是取代的；R1和R2中的每一个都是烷基，或者R1和R2可以共同形成3-至6-成员的饱和碳环，但是当B是可以被取代的3-吡啶基时，A是至少被两个取代基取代的苯基。
• FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE
  申请人：Nakamura Yuji

  公开号：US20100261675A1

  公开（公告）日：2010-10-14

  Conventional many fungicidal compositions have had practical problems such that either a preventive effect or a curing effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing an acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzyl which may be substituted, naphthyl which may be substituted, heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or the like; B is heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or naphthyl which may be substituted; each of R 1 and R 2 which are independent of each other, is alkyl, or the like; R 3 is hydrogen, or the like; each of W 1 and W 2 which are independent of each other, is oxygen or sulfur.

  传统的多种杀菌剂组合存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，对植物疾病的控制效果往往不足，因此需要一种能够克服这些问题的杀菌剂组合。本发明提供了一种杀菌剂组合，其包含式（I）的酸酰胺衍生物或其盐作为活性成分：其中A是苯基，可以是取代的苯基，苄基，可以是取代的苄基，萘基，可以是取代的萘基，杂环环，可以是取代的杂环环，融合的杂环环，可以是取代的融合的杂环环等；B是杂环环，可以是取代的融合的杂环环或萘基，可以是取代的萘基；R1和R2各自独立地是烷基或类似物；R3是氢或类似物；W1和W2各自独立地是氧或硫。
• FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1776011B1

  公开（公告）日：2012-03-21