(E)-1,2-difluoro-4-(2-nitrovinyl)benzene | 1025692-47-0

• 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: (E)-1,2-difluoro-4-(2-nitrovinyl)benzene
• 英文别名: 1-[(E)-2-nitroethenyl]-3,4-difluorobenzene；1,2-difluoro-4-[(E)-2-nitroethenyl]benzene
• CAS: 1025692-47-0
• 化学式: C₈H₅F₂NO₂
• 分子量: 185.13
• InChiKey: MFUFIEVSMSIBOA-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-1,2-difluoro-4-(2-nitrovinyl)benzene 在 W-2 Raney Ni 盐酸 、 氢气 、 sodium cyanoborohydride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 、 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Potent and Selective Non-Benzodioxole-Containing Endothelin-A Receptor Antagonists

  摘要：

  The benzodioxole ((methylenedioxy)benzene) group is present in a number of endothelin (ET) receptor antagonists thus far reported. As part of our own endothelin antagonist program we have developed (2R*,3R*,4S*)-1-(N,N-dibutylacetamido)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid acid (A-127722). This is a potent antagonist, binding to the ET(A) and ET(B) receptor subtypes with affinities (IC50) of 0.4 and 520 nM, respectively, and also contains the aforementioned benzodioxole. While this compound was seemingly optimized at its N-terminus, no effort had been directed toward understanding the contributions to binding affinity or receptor subtype selectivity conferred by the benzodioxole. Substitution by 1- or 2-naphthyl yielded weak antagonists. Oxygenated benzenes, such as p-anisyl, were potent compounds with IC(50)s in the low-nanomolar range. Simple deletion of either of the two oxygen atoms (dihydrobenzofurans) yielded extremely potent agents, possessing subnanomolar affinity for the ET(A) receptor. Additionally, the compounds showed enhanced selectivity, binding to the ET(B) receptor subtype in the micromolar range. This paper describes the development of this novel class of compounds.

  DOI：

  10.1021/jm960077r
• 作为产物：
  描述：

  3,4-二氟苯甲醛 在 硝基甲烷 、 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 16.0h， 生成 (E)-1,2-difluoro-4-(2-nitrovinyl)benzene
  参考文献：
  名称：

  WO2008/39882

  摘要：

  公开号：

文献信息

• 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS
  申请人：Bock Mark Gary

  公开号：US20140045872A1

  公开（公告）日：2014-02-13

  The present invention provides compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , A and n are as defined herein. A deuteriated derivative of the compound of Formula (I) is also provided.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、A和n如本文所定义。还提供了式（I）化合物的氘代衍生物。
• [EN] PYRROLIDINONES AS HERBICIDES<br/>[FR] PYRROLIDINONES SERVANT D'HERBICIDES
  申请人：DU PONT

  公开号：WO2015084796A1

  公开（公告）日：2015-06-11

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof;. whereinRl,R2,R3,R4, R5, R6, Ql, Q2,yl, and Y2are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  公开了Formula 1的化合物，包括所有立体异构体、N-氧化物和盐；其中R1、R2、R3、R4、R5、R6、Q1、Q2、y1和y2如披露中定义。还公开了含有Formula 1化合物的组合物以及用于控制不受欢迎植被的方法，包括将不受欢迎的植被或其环境与本发明的化合物或组合物的有效量接触。
• PYRROLIDINONES HERBICIDES
  申请人：FMC CORPORATION

  公开号：US20200367494A1

  公开（公告）日：2020-11-26

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , Q 1 , Q 2 , Y 1 , and Y 2 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  揭示了Formula 1的化合物，包括所有立体异构体、N-氧化物和盐：其中R1、R2、R3、R4、R5、R6、Q1、Q2、Y1和Y2如披露中所定义。还披露了含有Formula 1化合物的组合物以及控制不良植被的方法，包括将不良植被或其环境与本发明的化合物或组合物的有效量接触。
• [EN] SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES<br/>[FR] AMIDES CYCLIQUES SUBSTITUÉS ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：DU PONT

  公开号：WO2016196593A1

  公开（公告）日：2016-12-08

  Disclosed are compounds of Formula 1, N-oxides of the compounds and salts of the compounds and N-oxides: wherein R1, R2, R3, R4, R5, R6, Q1, Q2, J, YI and Y2 are as defined in the disclosure. Also disclosed are compositions containing the compounds, N-oxides and salts, and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of such a compound, N-oxide, salt or composition.

  本公开了Formula 1的化合物，该化合物的N-氧化物和盐以及化合物和N-氧化物的盐：其中R1、R2、R3、R4、R5、R6、Q1、Q2、J、Y1和Y2如披露中所定义。还公开了含有这些化合物、N-氧化物和盐的组合物，以及用于控制不受欢迎的植被的方法，包括将不受欢迎的植被或其环境与这种化合物、N-氧化物、盐或组合物的有效量接触。
• HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20170240512A1

  公开（公告）日：2017-08-24

  The present invention relates to a compound represented by Formula (I): wherein -L- is —C(═X)—, or the like, —Z— is —NR 5 —, or the like, —Z A — is —NR 5A —, or the like, —W— is —C(R 8 R 9 )n-, —W A — is —C(R 3 R 4 )m-, B is substituted or unsubstituted aromatic carbocyclyl, or the like, Y is a bond, or the like, the ring C is a substituted or unsubstituted aromatic heterocycle, or the like, R 2 is a hydrogen atom, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物：其中-L-为—C(═X)—，或类似的，—Z—为—NR5—，或类似的，—ZA—为—NR5A—，或类似的，—W—为—C(R8R9)n-，—WA—为—C(R3R4)m-，B为取代或未取代的芳香环烃基，或类似的，Y为键，或类似的，环C为取代或未取代的芳香杂环，或类似的，R2为氢原子，或类似的，或其药学上可接受的盐，或包括其的药物组成。