3-methylpyrazole potassium salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methylpyrazole potassium salt
• 英文别名: potassium 3-methylpyrazolate；Potassium;3-methylpyrazol-1-ide；potassium;3-methylpyrazol-1-ide
• 化学式: C₄H₅N₂*K
• 分子量: 120.195
• InChiKey: UKFASKAZMGYIST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.65
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  13.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methylpyrazole potassium salt 、 2,4-二氯嘧啶 以 二乙二醇二甲醚 为溶剂， 反应 15.0h， 以53%的产率得到2,4-(bis-3-methylpyrazole)-pyrimidine
  参考文献：
  名称：

  Lanthanide complexes of new polyaminocarboxylates with the bis-pyrazolylpyrimidine chromophore

  摘要：

  We describe the straightforward synthesis of a new polyacid ligand derived from the bis-pyrazolyipyrimidine motif that displayed excellent properties concerning its ability to sensitize the emission of lanthanides. Emission lifetimes were in the range of ms and quantum yields were 0.15 and 0.85 for Eu and Tb, respectively, among the largest measured by us in related compounds, thus making this ligand an excellent candidate for its application in multitagging time-resolved fluoroimmunoassays. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.089

文献信息

• Alkali-Metal Complexes of a Tetramethylcyclopentadienyl-Functionalized Pyrazolylborate Ligand. Structures of [Li₂(THF)₃B(3-Mepz)₃(C₅Me₄)] and [K₂(THF)₂B(3-Mepz)₃(C₅Me₄)]_∞
  作者：Dmitrii Roitershtein、Ângela Domingos、Noémia Marques

  DOI：10.1021/om0498293

  日期：2004.7.1

  characterized as its lithium and potassium salts. In the solid state, [Li2(THF)3B(3-Mepz)3}(C5Me4)] is monomeric, while [K2(THF)2B(3-Mepz)3}(C5Me4)]∞ consists of infinite puckered chains. The compounds were synthesized by reaction of B(NMe2)2(C5Me4H) with 2 equiv of 3-methylpyrazole and 1 equiv of M(3-Mepz) (M = Li, K) followed by deprotonation with n-BuLi or KH. The crystal structure of the intermediate monoanion

  制备了新的双阴离子配体[B（3-Mepz）3（C 5 Me 4）] 2- ，并对其结构进行了表征，为其锂盐和钾盐。在固态下，[Li 2（THF）3 B（3-Mepz）3 }（C 5 Me 4）]是单体，而[K 2（THF）2 B（3-Mepz）3 }（C 5 Me 4）] ∞由无限个起皱的链组成。这些化合物是通过B（NMe 2）2（C 5 Me 4H）与2当量的3-甲基吡唑和1当量的M（3-Mepz）（M = Li，K），然后用n-BuLi或KH去质子化。还展示了中间单阴离子[Li（THF）2 B（3-Mepz）3 }（C 5 Me 4 H）]的晶体结构。
• Dinuclear molybdenum and gadolinium complexes of new ‘back-to-back’ B–B linked bis[tris(pyrazolyl)borate] ligands
  作者：Nicholas C. Harden、John C. Jeffery、Jon A. McCleverty、Leigh H. Rees、Michael D. Ward

  DOI：10.1039/a803034k

  日期：——

  Some B–B linked ‘back-to-back’ bis[tris(pyrazolyl)borate] bridging ligands [(Rpz)3B–B(Rpz)3] (where Rpz is 3-R-pyrazolyl) have been prepared: when R=H or Me the ligands have two terdentate compartments, and have been used to prepare a variety of molybdenum complexes; when R=2-pyridyl, the ligand has two B–B linked hexadentate cavities which each bond a lanthanide(III) ion.

  一些 "背靠背 "连接的双[三（吡唑基）硼酸酯]桥接配体[(Rpz)3BâB(Rpz)3]（其中 Rpz 为 3-R-吡唑基）已被制备出来：当 R=H 或 Me 时，配体具有两个三齿腔，并已被用于制备各种钼配合物；当 R=2 吡啶基时，配体具有两个 BâB 连接的六齿腔，每个六齿腔结合一个镧系元素（III）离子。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Th: SVol.E, 1.9.2, page 201 - 202
  作者：

  DOI：——

  日期：——
• Quadrivalent actinide tetrakis(hexafluoroacetonylpyrazolide) compounds
  作者：W. Andruchow、D. G. Karraker

  DOI：10.1021/ic50127a055

  日期：1973.9.1
• Lanthanide complexes of new polyaminocarboxylates with the bis-pyrazolylpyrimidine chromophore
  作者：Ernesto Brunet、Olga Juanes、Rosa Sedano、Juan Carlos Rodríguez-Ubis

  DOI：10.1016/j.tetlet.2006.12.089

  日期：2007.2

  We describe the straightforward synthesis of a new polyacid ligand derived from the bis-pyrazolyipyrimidine motif that displayed excellent properties concerning its ability to sensitize the emission of lanthanides. Emission lifetimes were in the range of ms and quantum yields were 0.15 and 0.85 for Eu and Tb, respectively, among the largest measured by us in related compounds, thus making this ligand an excellent candidate for its application in multitagging time-resolved fluoroimmunoassays. (c) 2006 Elsevier Ltd. All rights reserved.