([3,5-(i-Pr)2,4-(NO2)Pz]Ag)3 | 890523-65-6

• 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: ([3,5-(i-Pr)2,4-(NO2)Pz]Ag)3
• 英文别名: ([3,5-di(isopropyl),4-nitropyrazole-1H]Ag)3
• CAS: 890523-65-6
• 化学式: C₂₇H₄₂Ag₃N₉O₆
• 分子量: 912.292
• InChiKey: GXCHMOWJDJVKND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 ([3,5-(i-Pr)2,4-(NO2)Pz]Ag)3 以 正己烷 为溶剂， 生成 ([3,5-(i-Pr)2,4-(NO2)Pz]Ag)3*0.8CH2Cl2
  参考文献：
  名称：

  Trimeric silver(I) pyrazolates with isopropyl, bromo, and nitro substituents: Synthesis and characterization of {[3,5-(i-Pr)2Pz]Ag}3, {[3,5-(i-Pr)2,4-(Br)Pz]Ag}3, and {[3,5-(i-Pr)2,4-(NO2)Pz]Ag}3

  摘要：

  Trimeric Ag(I) adducts of 3,5-di(isopropyl)pyrazole, 3,5-di(isopropyl),4-bromopyrazole, and 3,5-di(isopropyl),4-nitropyrazole have been synthesized by reacting the corresponding pyrazoles with silver(l) oxide. They have been characterized by X-ray crystallography as well as NMR and IR spectroscopic methods. Both {[3,5-(i-Pr)(2)Pz]Ag}(3) and {[3,5-(i-Pr)(2),4-(Br)Pz]Ag}(3) exist as pairs of trimers with weak Ag-Ag contacts, whereas {[3,5-(i-Pr)(2),4-(NO2)Pz]Ag}(3) exists as trimers in the solid state with no inter trimer Ag-Ag contacts. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.11.017
• 作为产物：
  描述：

  silver(l) oxide 、 3,5-diisopropyl-4-nitro-1H-pyrazole 以 苯 为溶剂， 以88%的产率得到([3,5-(i-Pr)2,4-(NO2)Pz]Ag)3
  参考文献：
  名称：

  Trimeric silver(I) pyrazolates with isopropyl, bromo, and nitro substituents: Synthesis and characterization of {[3,5-(i-Pr)2Pz]Ag}3, {[3,5-(i-Pr)2,4-(Br)Pz]Ag}3, and {[3,5-(i-Pr)2,4-(NO2)Pz]Ag}3

  摘要：

  Trimeric Ag(I) adducts of 3,5-di(isopropyl)pyrazole, 3,5-di(isopropyl),4-bromopyrazole, and 3,5-di(isopropyl),4-nitropyrazole have been synthesized by reacting the corresponding pyrazoles with silver(l) oxide. They have been characterized by X-ray crystallography as well as NMR and IR spectroscopic methods. Both {[3,5-(i-Pr)(2)Pz]Ag}(3) and {[3,5-(i-Pr)(2),4-(Br)Pz]Ag}(3) exist as pairs of trimers with weak Ag-Ag contacts, whereas {[3,5-(i-Pr)(2),4-(NO2)Pz]Ag}(3) exists as trimers in the solid state with no inter trimer Ag-Ag contacts. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.11.017