3-氯-6-{2-[(5-硝基呋喃-2-基)亚甲基]肼基}哒嗪 | 1027-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 3-氯-6-{2-[(5-硝基呋喃-2-基)亚甲基]肼基}哒嗪
• 英文名称: 3-chloro-6-{2-[(5-nitrofuran-2-yl)methylene]hydrazinyl}pyridazine
• 英文别名: 5-nitro-furan-2-carbaldehyde (6-chloro-pyridazin-3-yl)-hydrazone；1-(5-nitro-furfurylidene)-2-(3-chloro-6-pyridazinyl) hydrazine；5-Nitro-furfurol-<6-chlor-pyridazinyl-(3)-hydrazon>；6-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridazin-3-amine
• CAS: 1027-46-9
• 化学式: C₉H₆ClN₅O₃
• 分子量: 267.631
• InChiKey: QWNOJWBLYIQRPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-chloro-3-(5-nitro-furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine 、 3-氯-6-{2-[(5-硝基呋喃-2-基)亚甲基]肼基}哒嗪 、 lead(IV) acetate 在 N,N-二甲基甲酰胺 作用下， 生成 N'-[3-(5-nitro-furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]-formohydrazonic acid dimethylamide
  参考文献：
  名称：

  Novel nitrofuran compounds and pharmaceutical compositions

  摘要：

  某些新型的硝基呋喃化合物的化学式为：##SPC1## 其中，Het是芳香族杂环键；B是键或乙烯基；Y是氧或硫；m为0或1；X是氢、低碳基或烷酰基；R各自定义；这些化合物具有显著的抑菌和杀菌作用。

  公开号：

  US03957766A1
• 作为产物：
  描述：

  5-硝基糠醛 、 3-氯-6-肼基哒嗪 以 乙醇 为溶剂， 反应 1.0h， 以90%的产率得到3-氯-6-{2-[(5-硝基呋喃-2-基)亚甲基]肼基}哒嗪
  参考文献：
  名称：

  Synthesis, Fungicidal and Antibacterial Activity of New Pyridazine Derivatives

  摘要：

  Compounds 1 - 3 were obtained in the reaction of 3,6-dichloropyridazines with phenylacetonitriles in the biphasic system - DMSO / 50% NaOH. The chlorine atom was replaced with cycloalkylamino (4 - 13) and hydrazinyl (23, 24) moiety. These last compounds were condensed with aldehydes (25 - 34). Pyridazynylphenylacetonitriles were converted into amides 14 - 18 and thioamides 19 - 22. In compounds 2, 3 the chlorine atom was replaced with thiophenyl (37, 38) and in compound 1 with thioethyl and thiophenyl (35, 36) functional groups. In the reactions of compounds 1, 2 with ammonium polysulfide thioamides with thiol group (39, 40) and chlorine atom (41, 42) were obtained. Compounds 1 - 17, 19 43 were screened for antibacterial and fungicidal activities.

  DOI：

  10.3987/com-08-11577