1-methyl-5-nitro-1H-pyrrole-2-carbonitrile | 2853-30-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-methyl-5-nitro-1H-pyrrole-2-carbonitrile
• 英文别名: 1-Methyl-5-nitro-pyrrol-2-carbonitril；5-Nitro-1-methyl-pyrrol-carbonitril-(2)；2-Cyano-1-methyl-5-nitro-pyrrol；1-methyl-5-nitro-pyrrole-2-carbonitrile；5-nitro-1-methyl-1H-pyrrole-2-carbonitrile；1-methyl-5-nitropyrrole-2-carbonitrile
• CAS: 2853-30-7
• 化学式: C₆H₅N₃O₂
• 分子量: 151.125
• InChiKey: XQTJQMDEPQQDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-5-nitro-1H-pyrrole-2-carbonitrile 在 palladium 10% on activated carbon 氢气 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 5-amino-1-methyl-1H-pyrrole-2-carbonitrile
  参考文献：
  名称：

  Non-steroidal progesterone receptor modulators

  摘要：

  本发明涉及一般式I的非类固醇孕激素受体调节剂，以及利用这些孕激素受体调节剂制造药物和包含这些化合物的药物组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和月经痛，并用于激素依赖性肿瘤的治疗和预防，以及用于女性生育控制和激素替代疗法。

  公开号：

  US20090270381A1
• 作为产物：
  描述：

  (E)-N-羟基-1-(1-甲基-1H-吡咯-2-基)甲亚胺 在 硝酸 、 乙酸酐 作用下， 生成 1-methyl-5-nitro-1H-pyrrole-2-carbonitrile
  参考文献：
  名称：

  PYRROLE CHEMISTRY: II. 2-PYRROLECARBONITRILE, 1-METHYL-2-PYRROLECARBONITRILE, AND THEIR NITRATION PRODUCTS

  摘要：

  吡咯和1-甲基吡咯的2-腈基已经通过相应的醛肟的脱水制备。这些化合物已经被硝化，并且4-和5-硝基异构体的比例已经确定。在吡咯系列中，2-氰基在硝化过程中似乎比在苯环中更少地表现出强烈的“间位”导向性（即朝向4-位置）。

  DOI：

  10.1139/v59-298

文献信息

• Pyrrole carbonitrile and nitropyrrole insecticidal and acaricidal and
  申请人：American Cyanamid Company

  公开号：US05204332A1

  公开（公告）日：1993-04-20

  There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants from insect, acarid and mollusk attack by applying to said plants or the soil or water in which they are growing, an insecticidally, acaricidally or molluscicidally effective amount of a pyrrole carbonitrile or nitropyrrole compound. The present invention further relates to methods for the preparation of said pyrrole carbonitrile and nitropyrrole compounds.

  提供了一些杀虫、杀螨和杀蜗牛的吡咯碳腈和硝基吡咯化合物，以及用于控制昆虫、螨虫和软体动物的方法。该发明还提供了一种方法，通过向植物或它们生长的土壤或水中施用一定量的杀虫、杀螨或杀软体动物有效成分的吡咯碳腈或硝基吡咯化合物，来保护生长中的植物免受昆虫、螨虫和软体动物的侵害。本发明还涉及制备上述吡咯碳腈和硝基吡咯化合物的方法。
• Methods and compositions for protecting animals against attack and
  申请人：American Cyanamid Company

  公开号：US05371239A1

  公开（公告）日：1994-12-06

  This invention relates to methods and compositions for treating, controlling, preventing and protecting warm-blooded animals from infestation and infection by helminths, acarids and arthropod endo- and ectoparasites by administering or applying to the animals a nitropyrrole or pyrrole carbonitrile compound.

  这项发明涉及治疗、控制、预防和保护温血动物免受蠕虫、螨虫和节肢动物内外寄生虫的侵害和感染的方法和组合物，通过向动物施用或涂抹一种硝基吡咯或吡咯碳腈化合物。
• Pyrrole carbonitrile and nitropyrrole insecticidal, acaricidal and
  申请人：American Cyanamid Company

  公开号：US05162308A1

  公开（公告）日：1992-11-10

  There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants from insect, acarid and mollusk attack by applying to said plants or the soil or water in which they are growing, an insecticidally, acaricidally or molluscicidally effective amount of a pyrrole carbonitrile or nitropyrrole compound. The present invention further relates to methods for the preparation of said pyrrole carbonitrile and nitropyrrole compounds.

  提供了某些杀虫剂、杀螨剂和杀软体动物的吡咯碳腈和硝基吡咯化合物，以及一种用于控制昆虫、螨虫和软体动物的方法。该发明还提供了一种保护生长中植物免受昆虫、螨虫和软体动物侵害的方法，即向这些植物或它们生长的土壤或水中施用一定量的吡咯碳腈或硝基吡咯化合物，具有杀虫、杀螨或杀软体动物的有效作用。本发明还涉及制备上述吡咯碳腈和硝基吡咯化合物的方法。
• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20160229814A1

  公开（公告）日：2016-08-11

  The present invention provides a heterocyclic compound having an RORγt inhibitory action. The present invention relates to a compound represented by the formula (I): wherein Ar is a the partial structure (1) to the partial structure (5), Q is a bivalent group selected from the group consisting of (Ia)-(If), and B is a ring optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有RORγt抑制作用的杂环化合物。本发明涉及一种由式(I)表示的化合物：其中Ar是部分结构(1)到部分结构(5)，Q是从(Ia)-(If)组成的双价基团，B是一个环，可以具有取代基，或其盐。
• Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0372263A2

  公开（公告）日：1990-06-13

  There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants from insect, acarid and mollusk attack by applying to said plants or the soil or water in which they are growing, an insecticidally, acaricidally or molluscici­dally effective amount of a pyrrole carbonitrile or nitropyrrole compound. The present invention further relates to methods for the preparation of said pyrrole carbonitrile and nitropyrrole compounds.

  本发明提供了某些杀虫、杀螨虫和杀软体动物的吡咯腈和硝基吡咯化合物，以及用其控制昆虫、螨虫和软体动物的方法。本发明还提供了一种保护生长中的植物免受昆虫、螨虫和软体动物攻击的方法，即向上述植物或其生长的土壤或水中施用杀虫、杀螨或杀软体动物有效量的吡咯腈或硝基吡咯化合物。本发明还涉及制备所述吡咯腈和硝基吡咯化合物的方法。