2,3-二氯-4-硝基-1H-吡咯 | 79763-01-2

• 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
• 中文名称: 2,3-二氯-4-硝基-1H-吡咯
• 英文名称: 2,3-dichloro-4-nitropyrrole
• 英文别名: pyrrolomycin A；2,3-dichloro-4-nitro-1H-pyrrole
• CAS: 79763-01-2
• 化学式: C₄H₂Cl₂N₂O₂
• mdl: MFCD01688461
• 分子量: 180.978
• InChiKey: CDHAYBUDIPNGGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,3-二氯-4-硝基-1H-吡咯 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(1'-iodopropyn-3'-yl)-2,3-dichloro-4-nitropyrrole
  参考文献：
  名称：

  Iodoallyl and iodopropargyl substituted tetrazoles and anti-microbial

  摘要：

  三碘丙烯基或碘丙炔基取代的杂环芳香化合物可以通过在惰性有机溶剂中存在碱的情况下，将未取代或取代的含氮杂环化合物与相应的含碘醇反应衍生物反应而制备。这些新的杂环芳香化合物具有显著的抗菌和抗真菌活性，并可作为药用、农业和工业领域的抗菌和抗真菌剂使用。

  公开号：

  US04563472A1

文献信息

• Heterocyclic compounds and antibacterial and antifungal compositions containing the same as active ingredients
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0080051A2

  公开（公告）日：1983-06-01

  Triiodoallyl- or iodopropargyl-substituted heterocyclic aromatic compounds which can be prepared by reacting unsubstituted- or substituted nitrogen-containing heterocyclic compounds with corresponding iodine containing alcohol reactive derivatives in the presence of a base in an inert organic solvent. These new heterocyclic aromatic compounds have remarkable antibacterial and antifungal activities and are useful as antibacterial and antifungal agents in medicinal, agricultural and industrial fields.

  三碘烯丙基或碘丙炔基取代的杂环芳香族化合物，可通过未取代或取代的含氮杂环化合物与相应的含碘醇反应衍生物在惰性有机溶剂中，在碱存在下反应制备。 这些新型杂环芳香族化合物具有显著的抗菌和抗真菌活性，可作为抗菌和抗真菌剂用于医药、农业和工业领域。
• 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。
• Processes and host cells for genome, pathway, and biomolecular engineering
  申请人：enEvolv, Inc.

  公开号：US10370654B2

  公开（公告）日：2019-08-06

  The present disclosure provides compositions and methods for genomic engineering.

  本公开提供了基因组工程的组合物和方法。
• Synthesis and quantitative structure-activity relationship analysis of N-triiodoallyl- and N-iodopropargylazoles. New antifungal agents
  作者：Masao Koyama、Noriko Ohtani、Fumio Kai、Ikuo Moriguchi、Shigeharu Inouye

  DOI：10.1021/jm00386a019

  日期：1987.3

  New series of N-(2,3,3-triiodoallyl) and N-(3-iodopropargyl) azole derivatives (100 compounds) involving pyrrole, pyrazole, imidazole, triazole, and tetrazole nuclei were synthesized successively with the aid of quantitative structure-activity relationship (QSAR) analysis to obtain potent antifungal agents. Starting from the derivatives of nitropyrrole-containing antibiotics, the QSAR analysis of the pyrrole derivatives against Candida albicans and Trichophyton mentagrophytes strains indicated the positive contribution of the nitro group and negative effect of the size of molecule. Further application of the QSAR analysis on the multi-azole derivatives revealed the importance of hydrophobicity and electronegativity as well as steric effect to the activities and led to the synthesis of one of the most potent iodo compounds, 2-(2,3,3-triiodoallyl)tetrazole (67, ME1401).
• OYAMA, MASAO;KAI, FUMIO;TSURUOKA, TAKASI;MIYAUTI, KEHJNOSUKEH;MATSUMOTO, +
  作者：OYAMA, MASAO、KAI, FUMIO、TSURUOKA, TAKASI、MIYAUTI, KEHJNOSUKEH、MATSUMOTO, +

  DOI：——

  日期：——