N-acetyl-5-nitrosalicylhydrazine | 904285-39-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N-acetyl-5-nitrosalicylhydrazine
• 英文别名: H3anshz；N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
• CAS: 904285-39-8
• 化学式: C₉H₉N₃O₅
• 分子量: 239.188
• InChiKey: IIGXBPFZHFCKRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-acetyl-5-nitrosalicylhydrazine 、 水 、 manganese (II) acetate tetrahydrate 、 N,N-二甲基甲酰胺 在 air 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到[Mn6(H2O)6(N-acetyl-5-nitrosalicylhydrazide(3-))6]*10(N,N-dimethylformamide)
  参考文献：
  名称：

  Synthesis, crystal structure and bioactivity of a novel 18-metallacrown-6 [Mn6(H2O)6 (anshz)6]·10DMF

  摘要：

  A novel macrocyclic hexanuclear manganese(111) 18-metallacrown-6 compound, [Mn-6(H2O)6 (anshz)(6)]center dot 10DMF, has been prepared using a trianionic pentadentate ligand N-acetyl-5-nitrosalicylhydrazide (anshz(3-)) and characterized by X-ray diffraction (DMF = N,N-dimethylformamide). The crystal structure contains a neutral 18-membered metallacrown ring consisting of six Mn(111) and six anshz(3-) ligands. The 18-membered metallacrown ring is formed by the succession of six structural moieties of the type [Mn(111)-N-N]. Due to the meridional coordination of the ligand to the Mn3+ ion, the ligand enforces the stereochemistry of the Mn3+ ions as a propeller configuration with alternating Delta/Lambda forms. The disc-shaped hexanuclear ring shows at its largest diameter about 7.14 angstrom at entrance, about 9.76 angstrom at the center of the cavity, respectively. Antibacterial screening data showed that the manganese metallacrown has strong antimicrobial activity against Bacillus subtilis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.036
• 作为产物：
  描述：

  5-Nitro-salicylsaeure-hydrazid 、 乙酸酐 以 氯仿 为溶剂， 反应 8.0h， 以91.1%的产率得到N-acetyl-5-nitrosalicylhydrazine
  参考文献：
  名称：

  Synthesis, crystal structure and bioactivity of a novel 18-metallacrown-6 [Mn6(H2O)6 (anshz)6]·10DMF

  摘要：

  A novel macrocyclic hexanuclear manganese(111) 18-metallacrown-6 compound, [Mn-6(H2O)6 (anshz)(6)]center dot 10DMF, has been prepared using a trianionic pentadentate ligand N-acetyl-5-nitrosalicylhydrazide (anshz(3-)) and characterized by X-ray diffraction (DMF = N,N-dimethylformamide). The crystal structure contains a neutral 18-membered metallacrown ring consisting of six Mn(111) and six anshz(3-) ligands. The 18-membered metallacrown ring is formed by the succession of six structural moieties of the type [Mn(111)-N-N]. Due to the meridional coordination of the ligand to the Mn3+ ion, the ligand enforces the stereochemistry of the Mn3+ ions as a propeller configuration with alternating Delta/Lambda forms. The disc-shaped hexanuclear ring shows at its largest diameter about 7.14 angstrom at entrance, about 9.76 angstrom at the center of the cavity, respectively. Antibacterial screening data showed that the manganese metallacrown has strong antimicrobial activity against Bacillus subtilis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.036