2,6-二氟-4-甲氧基苯基乙腈 | 886499-03-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,6-二氟-4-甲氧基苯基乙腈
• 英文名称: 2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
• 英文别名: 2,6-difluoro-4-methoxyphenylacetonitrile
• CAS: 886499-03-2
• 化学式: C₉H₇F₂NO
• mdl: MFCD04115928
• 分子量: 183.157
• InChiKey: QIAUDGXIPNBTDC-UHFFFAOYSA-N

物化性质

• 沸点：
  232.7±35.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2,6-二氟-4-甲氧基苯基乙腈 在 溶剂黄146 作用下， 以 乙醇 、 乙酸乙酯 、 甲苯 为溶剂， 反应 17.0h， 生成 4-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-methyl-2H-pyrazol-3-yl amine
  参考文献：
  名称：

  [EN] AGRICULTURAL CHEMICALS
  [FR] PRODUITS CHIMIQUES AGRICOLES

  摘要：

  公开号：

  WO2016055801A3
• 作为产物：
  描述：

  (2,6-二氟-4-甲氧基苯基)甲醇 在 三溴氧磷 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 2,6-二氟-4-甲氧基苯基乙腈
  参考文献：
  名称：

  [EN] PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL
  [FR] PIPÉRIDINES OU PIPÉRIDONES SUBSTITUÉES PAR DE L'URÉE ET DU PHÉNYLE

  摘要：

  本发明涉及一种符合一般式（I）的化合物，该化合物作为FPR2的调节剂，并可用于治疗和/或预防至少部分由FPR2介导的疾病。

  公开号：

  WO2019170904A1

文献信息

• [EN] MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES MULTI-CIBLE POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV PENNSYLVANIA

  公开号：WO2018048969A1

  公开（公告）日：2018-03-15

  The present disclosure provides methods of treating neurodegenerative diseases, peripheral inflammatory conditions, cancers, or parasitic diseases in a subject, comprising administering to the subject a compound of Formula (I), (II), (III), and/or (IV):(I), (II), (III), (IV) or a pharmaceutically acceptable salt thereof, wherein X. R1-R8, R21-R28. R31-R38, and R41-R48 are as defined herein.

  本公开提供了治疗受试者的神经退行性疾病、外周炎症性疾病、癌症或寄生虫病的方法，包括向受试者施用式(I)、(II)、(III)和/或(IV)的化合物：(I)、(II)、(III)、(IV)或其药学上可接受的盐，其中X、R1-R8、R21-R28、R31-R38和R41-R48如本文所定义。
• [EN] PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES<br/>[FR] DÉRIVÉS DE PYRAZOLE, D'ISOTHIAZOLE ET D'ISOXAZOLE UTILES EN TANT QUE FONGICIDES AGRICOLES
  申请人：REDAG CROP PROT LTD

  公开号：WO2019020981A1

  公开（公告）日：2019-01-31

  The present invention relates to substituted pyrazole, isoxazole andisothiazole compounds which are of use in the field of agriculture as fungicides.

  本发明涉及用作杀菌剂的取代吡唑、异噁唑和异噻唑化合物，适用于农业领域。
• [EN] FUNGICIDAL PYRAZOLES<br/>[FR] PYRAZOLES FONGICIDES
  申请人：DU PONT

  公开号：WO2010101973A1

  公开（公告）日：2010-09-10

  Disclosed are compounds of Formula (1), including all geometric and stereoisomers, JV-oxides, and salts thereof, wherein Q1 is a phenyl ring, naphthalenyl ring system, a 5- to 6-membered fully unsaturated heterocyclic ring or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; Q2 is a phenyl ring, a naphthalenyl ring system, a 5- to 6-membered saturated, partially unsaturated or fully unsaturated heterocyclic ring, or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; X is O, S(O)m, NR4, CR15R16, C(O) or C(=S); and R1, R1a, R2, R4, R15, R16 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula (1) and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula (2), including all geometric and stereoisomers, and salts thereof, wherein X is NH; and Q1, Q2 and R2 are as defined for Formula (1); which are useful as intermediates for preparing compounds of Formula (1).

  公开的是Formula (1)的化合物，包括所有的几何和立体异构体，JV-氧化物及其盐，其中Q1是苯环，萘环系统，5-至6-成员完全不饱和的杂环环或8-至10-成员的杂芳双环系统，每个如披露中定义的可选取代基；Q2是苯环，萘环系统，5-至6-成员饱和的、部分不饱和的或完全不饱和的杂环环，或8-至10-成员的杂芳双环系统，每个如披露中定义的可选取代基；X是O，S(O)m，NR4，CR15R16，C(O)或C(=S)；而R1、R1a、R2、R4、R15、R16和m如披露中定义。还公开了含有Formula (1)的化合物的组合物以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。还公开了Formula (2)的化合物，包括所有的几何和立体异构体，及其盐，其中X是NH；Q1、Q2和R2如Formula (1)中定义；它们可作为制备Formula (1)的化合物的中间体。
• FUNGICIDAL PYRAZOLES
  申请人：Long Jeffrey Keith

  公开号：US20110319430A1

  公开（公告）日：2011-12-29

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q 1 is a phenyl ring, naphthalenyl ring system, a 5- to 6-membered fully unsaturated heterocyclic ring or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; Q 2 is a phenyl ring, a naphthalenyl ring system, a 5- to 6-membered saturated, partially unsaturated or fully unsaturated heterocyclic ring, or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; X is O, S(O) m , NR 4 , CR 15 R 16 , C(═O) or C(═S); and R 1 , R 1a , R 2 , R 4 , R 15 , R 16 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula 2, including all geometric and stereoisomers, and salts thereof, wherein X is NH; and Q 1 , Q 2 and R 2 are as defined for Formula 1; which are useful as intermediates for preparing compounds of Formula 1.

  本发明涉及一种化合物，其化学式为1，包括所有几何和立体异构体，N-氧化物和其盐，其中Q1是苯环，萘环系统，5-至6-成员完全不饱和的杂环环或8-至10-成员的杂芳香双环系统，每个如所述，其可选取代基如定义在本说明书中；Q2是苯环，萘环系统，5-至6-成员饱和，部分不饱和或完全不饱和的杂环环或8-至10-成员的杂芳香双环系统，每个如所述，其可选取代基如定义在本说明书中；X是O，S（O）m，NR4，CR15R16，C（═O）或C（═S）；以及R1、R1a、R2、R4、R15、R16和m如本说明书所定义。本发明还涉及包含化合物1的组合物以及用于控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。本发明还涉及化合物2，其化学式为2，包括所有几何和立体异构体以及其盐，其中X为NH；Q1、Q2和R2如化合物1所定义；其作为制备化合物1的中间体有用。
• Fungicidal pyrazoles
  申请人：Long Jeffrey Keith

  公开号：US09062005B2

  公开（公告）日：2015-06-23

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q1 is a phenyl ring, naphthalenyl ring system, a 5- to 6-membered fully unsaturated heterocyclic ring or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; Q2 is a phenyl ring, a naphthalenyl ring system, a 5- to 6-membered saturated, partially unsaturated or fully unsaturated heterocyclic ring, or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; X is O, S(O)m, NR4, CR15R16, C(═O) or C(═S); and R1, R1a, R2, R4, R15, R16 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula 2, including all geometric and stereoisomers, and salts thereof, wherein X is NH; and Q1, Q2 and R2 are as defined for Formula 1; which are useful as intermediates for preparing compounds of Formula 1.

  本发明涉及公式1的化合物，包括所有的几何异构体，立体异构体，N-氧化物和其盐。其中，Q1是苯环，萘环系统，一个5至6成员的全不饱和杂环环或一个8至10成员的杂芳香双环系统，每个描述都有可选的取代基，如披露所定义的；Q2是苯环，萘环系统，一个5至6成员的饱和，部分不饱和或全不饱和的杂环环，或一个8至10成员的杂芳香双环系统，每个描述都有可选的取代基，如披露所定义的；X是O，S（O）m，NR4，CR15R16，C（═O）或C（═S）；R1，R1a，R2，R4，R15，R16和m如披露所定义的。本发明还涉及含有公式1化合物的组合物，以及应用本发明的化合物或组合物的有效量来控制由真菌病原体引起的植物病害的方法。本发明还涉及公式2的化合物，包括所有的几何异构体，立体异构体和其盐。其中，X是NH；Q1，Q2和R2如公式1所定义的；它们用作制备公式1化合物的中间体。