1-(2-bromo-4-fluorophenyl)-2-propanone | 1250021-16-9

• 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-(2-bromo-4-fluorophenyl)-2-propanone
• 英文别名: 1-(2-Bromo-4-fluorophenyl)propan-2-one
• CAS: 1250021-16-9
• 化学式: C₉H₈BrFO
• 分子量: 231.064
• InChiKey: NOUVOMJCKOALKS-UHFFFAOYSA-N

物化性质

• 沸点：
  262.1±25.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)

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：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-bromo-4-fluorophenyl)-2-propanone 在 potassium tert-butylate 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 甲基叔丁基醚 为溶剂， 反应 4.75h， 生成 4-(2-bromo-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine
  参考文献：
  名称：

  [EN] FUNGICIDAL PYRAZOLE MIXTURES
  [FR] MÉLANGES DE PYRAZOLE FONGICIDES

  摘要：

  公开号：

  WO2013116251A3
• 作为产物：
  描述：

  α-acetyl-2-bromo-4-fluorobenzene-acetonitrile 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 17.0h， 生成 1-(2-bromo-4-fluorophenyl)-2-propanone
  参考文献：
  名称：

  [1,5]-烷硫基基团转移介导的骨骼重排构建1,3-二硫代四联蛋白。

  摘要：

  描述了涉及[1,5]-烷硫基转移/环化序列的新型骨架重排。用催化量的Sc（OTf）3处理在均苄基位置具有硫缩酮部分的亚苄基丙二酸酯，以良好的化学收率得到了烷硫基重排的加合物。对反应机理的详细研究表明，分子内共轭物的添加/开环顺序（不是通过空间转移）是实现该反应的关键。

  DOI：

  10.1021/acs.orglett.8b01610

文献信息

• [EN] SOLID FORMS OF FUNGICIDAL PYRAZOLES<br/>[FR] FORMES SOLIDES DE PYRAZOLES FONGICIDES
  申请人：DU PONT

  公开号：WO2014189753A1

  公开（公告）日：2014-11-27

  Disclosed are solid forms of 4-(2-bromo-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine (Compound 1). Methods for the preparation of solid forms of Compound 1 and for the conversion of one solid form of Compound 1 into another are disclosed. Disclosed are compositions for protecting a plant or plant seed from diseases caused by fungal pathogens comprising a biologically effective amount of a solid form of Compound 1 and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid carriers. Compositions comprising a mixture of a solid form of Compound 1 and at least one other nematocide, insecticide and/or fungicide are also disclosed. Also disclosed are methods for protecting a plant or plant seed from diseases caused by fungal pathogens comprising applying to a plant or seed, or to the environment of the plant or seed, a biologically effective amount of a solid form of Compound 1.

  本文揭示了4-(2-溴-4-氟苯基)-N-(2-氯-6-氟苯基)-1,3-二甲基-1H-吡唑-5-胺（化合物1）的固态形式。公开了制备化合物1固态形式以及将一种化合物1固态形式转化为另一种形式的方法。公开了用于保护植物或植物种子免受由真菌病原体引起的疾病的组合物，包括一种化合物1固态形式的生物有效量以及从表面活性剂、固体稀释剂和液体载体组成的群体中选择的至少一种额外成分。还公开了包含化合物1固态形式和至少一种其他线虫杀虫剂、杀虫剂和/或杀真菌剂的混合物的组合物。还公开了一种方法，用于保护植物或植物种子免受由真菌病原体引起的疾病，包括向植物或种子或植物或种子的环境中施加一种化合物1固态形式的生物有效量。
• Stereoselective synthesis of highly congested tetralin-fused spirooxindoles with hydroxy group: Pseudo oxygen atom induced hydride shift/cyclization process
  作者：Dan Sakai、Mizuki Machida、Keiji Mori

  DOI：10.1016/j.tetlet.2021.153408

  日期：2021.10

  A highly stereoselective synthesis of tetralin-fused spirooxindoles with two contiguous stereogenic centers was developed. In the present reaction, not only the [1,5]-hydride shift/cyclization process, but also the replacement of nitrogen atom by oxygen atom occurred smoothly to give target compounds with hydroxy group in good chemical yields with good to excellent diastereoselectivities (up to d.r

  开发了具有两个连续立体中心的四氢萘融合螺吲哚的高度立体选择性合成。在本反应中，不仅[1,5]-氢化物转移/环化过程，而且氮原子被氧原子取代，以良好的化学产率得到具有羟基的目标化合物，具有良好到优异的非对映选择性（高达博士 = > 20:1）。对反应机理的研究表明，这种“原子置换”事件是通过亚胺阳离子中间体发生的。
• FUNGICIDAL PYRAZOLES AND THEIR MIXTURES
  申请人：Long Jeffrey Keith

  公开号：US20130129839A1

  公开（公告）日：2013-05-23

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1, N-oxides, and salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the disclosure; and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of a compound of Formula 1, an N-oxide, or salt thereof (e.g., as a component in the aforesaid composition). Also disclosed is a composition comprising: (a) at least one compound selected from the compounds of Formula 1 described above, N-oxides, and salts thereof; and at least one invertebrate pest control compound or agent.

  本发明公开了一种杀真菌组合物，包括（a）至少一种选择自式1化合物、N-氧化物和其盐的化合物，其中R1、R2、R3、R4、R5和R6如本公开所定义；（b）至少一种额外的杀真菌化合物。本发明还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括向植物或其部分，或植物种子施加式1化合物、N-氧化物或其盐的杀真菌有效量（例如，作为上述组合物的组分）。本发明还公开了一种组合物，包括：（a）至少一种选择自上述式1化合物、N-氧化物和其盐的化合物；和至少一种无脊椎动物害虫控制化合物或剂。
• Fungicidal pyrazoles and their mixtures
  申请人：Long Jeffrey Keith

  公开号：US09107412B2

  公开（公告）日：2015-08-18

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1, N-oxides, and salts thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined in the disclosure; and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of a compound of Formula 1, an N-oxide, or salt thereof (e.g., as a component in the aforesaid composition). Also disclosed is a composition comprising: (a) at least one compound selected from the compounds of Formula 1 described above, N-oxides, and salts thereof; and at least one invertebrate pest control compound or agent.

  本发明公开了一种杀真菌组合物，包括（a）选自公式1化合物、N-氧化物及其盐的至少一种化合物，其中R1、R2、R3、R4、R5和R6如本公开所定义；以及（b）至少一种额外的杀真菌化合物。本发明还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括向植物或其部分，或植物种子施加公式1化合物、N-氧化物或其盐的杀真菌有效量（例如，作为上述组合物中的组分）。本发明还公开了一种组合物，包括：（a）选自上述公式1化合物、N-氧化物及其盐的至少一种化合物；以及至少一种无脊椎动物害虫控制化合物或剂。
• SOLID FORMS OF FUNGICIDAL PYRAZOLES
  申请人：E. I. DU PONT DE NEMOURS AND COMPANY

  公开号：US20160075661A1

  公开（公告）日：2016-03-17

  Disclosed are solid forms of 4-(2-bromo-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine (Compound 1). Methods for the preparation of solid forms of Compound 1 and for the conversion of one solid form of Compound 1 into another are disclosed. Disclosed are compositions for protecting a plant or plant seed from diseases caused by fungal pathogens comprising a biologically effective amount of a solid form of Compound 1 and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid carriers. Compositions comprising a mixture of a solid form of Compound 1 and at least one other nematocide, insecticide and/or fungicide are also disclosed. Also disclosed are methods for protecting a plant or plant seed from diseases caused by fungal pathogens comprising applying to a plant or seed, or to the environment of the plant or seed, a biologically effective amount of a solid form of Compound 1.

  本发明涉及4-(2-溴-4-氟苯基)-N-(2-氯-6-氟苯基)-1,3-二甲基-1H-吡唑-5-胺（化合物1）的固态形式。本发明还公开了制备化合物1的固态形式的方法，以及将化合物1的一种固态形式转化为另一种固态形式的方法。本发明还公开了用于保护植物或植物种子免受由真菌病原体引起的疾病的组合物，该组合物包括生物学有效量的化合物1的固态形式和至少一种来自表面活性剂、固态稀释剂和液体载体组成的附加组分。本发明还公开了包含化合物1的固态形式和至少一种其他线虫杀虫剂、杀虫剂和/或杀真菌剂的混合物的组合物。本发明还公开了一种保护植物或植物种子免受由真菌病原体引起的疾病的方法，包括向植物或种子或其环境中施加生物学有效量的化合物1的固态形式。