1-(2-cyano-3-fluorophenyl)-3-methyl-6-nitroindazole | 786658-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-cyano-3-fluorophenyl)-3-methyl-6-nitroindazole
• 英文别名: 2-fluoro-6-(3-methyl-6-nitroindazol-1-yl)benzonitrile
• CAS: 786658-39-7
• 化学式: C₁₅H₉FN₄O₂
• 分子量: 296.26
• InChiKey: RNUCZMARCPYQPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-cyano-3-fluorophenyl)-3-methyl-6-nitroindazole 、 sodium methylate 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.0h， 以92.7%的产率得到1-(2-cyano-3-methoxyphenyl)-3-methyl-6-nitroindazole
  参考文献：
  名称：

  EP1627877

  摘要：

  公开号：
• 作为产物：
  描述：

  3-甲基-6-硝基-1H-吲唑 、 2,6-二氟苯腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以32.5%的产率得到1-(2-cyano-3-fluorophenyl)-3-methyl-6-nitroindazole
  参考文献：
  名称：

  EP1627877

  摘要：

  公开号：

文献信息

• Processes for producing pyrazoloacridone derivative and synthetic intermediate thereof
  申请人：Tsubakihara Nobuaki

  公开号：US20060217554A1

  公开（公告）日：2006-09-28

  (wherein R represents lower alkyl; R 1 represents a hydrogen atom, —CH 2 X or —OC(═O)R 3 ; and R 2 represents a hydrogen atom, nitro, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkylthio or substituted or unsubstituted aryl) The present invention provides a simple industrial process for producing pyrazoloacridone derivatives having an antitumor activity, 1-(2-carboxyphenyl)indazole derivatives, which are useful as synthetic intermediates thereof, or the like; and the like. For example, the present invention provides a process for producing a 1-(2-carboxyphenyl)indazole derivative represented by general formula (IV) which comprises steps of reacting a compound represented by above general formula (I) with a compound represented by above general formula (II) in the presence of a base to produce a compound represented by above general formula (III); and hydrolyzing a cyano group of the resulting compound represented by general formula (III).

  其中R代表低碳基；R1代表氢原子、—CH2X或—OC(═O)R3；R2代表氢原子、硝基、卤素、取代或未取代的低碳基、取代或未取代的低碳氧基、取代或未取代的低碳硫基或取代或未取代的芳基。本发明提供了一种简单的工业过程，用于生产具有抗肿瘤活性的吡唑并蒽醌衍生物、1-(2-羧基苯基)吲唑衍生物，或其合成中间体等；例如，本发明提供了一种生产由通式（IV）表示的1-(2-羧基苯基)吲唑衍生物的方法，其中包括以下步骤：在碱存在下将上述通式（I）表示的化合物与上述通式（II）表示的化合物反应以产生上述通式（III）表示的化合物；并水解上述通式（III）表示的化合物中的氰基。
• PROCESSES FOR PRODUCING PYRAZOLOACRIDONE DERIVATIVE AND INTERMEDIATE THEREFOR
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1627877A1

  公开（公告）日：2006-02-22

  (wherein R represents lower alkyl; R1 represents a hydrogen atom, -CH2X or -OC(=O)R3; and R2 represents a hydrogen atom, nitro, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkylthio or substituted or unsubstituted aryl) The present invention provides a simple industrial process for producing pyrazoloacridone derivatives having an antitumor activity, 1-(2-carboxyphenyl)indazole derivatives, which are useful as synthetic intermediates thereof, or the like; and the like. For example, the present invention provides a process for producing a 1-(2-carboxyphenyl)indazole derivative represented by general formula (IV) which comprises steps of reacting a compound represented by above general formula (I) with a compound represented by above general formula (II) in the presence of a base to produce a compound represented by above general formula (III); and hydrolyzing a cyano group of the resulting compound represented by general formula (III).

  (其中R代表低级烷基；R1代表氢原子、-CH2X或-OC(＝O)R3；R2代表氢原子、硝基、卤素、取代或未取代的低级烷基、取代或未取代的低级烷氧基、取代或未取代的低级烷硫基或取代或未取代的芳基) 本发明提供了一种生产具有抗肿瘤活性的吡唑吖啶酮衍生物、1-(2-羧基苯基)吲唑衍生物（可用作其合成中间体）或类似物的简单工业工艺。 例如，本发明提供了一种生产通式(IV)代表的 1-(2-羧基苯基)吲唑衍生物的工艺，该工艺包括以下步骤：在碱存在下，使上述通式(I)代表的化合物与上述通式(II)代表的化合物反应，生成上述通式(III)代表的化合物；水解所得通式(III)代表的化合物的氰基。