tris(3,4,5-trimethylpyrazol-1-yl)methane | 24307-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tris(3,4,5-trimethylpyrazol-1-yl)methane
• 英文别名: tris(3,4,5-trimethylpyrazolyl)methane；HC(Pz^Me3)₃；Tris-(3,4,5-trimethyl-pyrazol-1-yl)-methan；3,4,5,3',4',5',3'',4'',5''-nonamethyl-1H,1'H,1''H-1,1',1''-methanetriyl-tris-pyrazole；HC(3,4,5-(CH3)3pz)3；1H-Pyrazole, 1,1',1''-methylidynetris[3,4,5-trimethyl-；1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole
• CAS: 24307-78-6
• 化学式: C₁₉H₂₈N₆
• 分子量: 340.472
• InChiKey: GAEQCBJHCTVXKF-UHFFFAOYSA-N

物化性质

• 熔点：
  156-157 °C
• 沸点：
  505.4±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tris(3,4,5-trimethylpyrazol-1-yl)methane 以 甲醇 为溶剂， 生成 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;bromozinc(1+);perchlorate
  参考文献：
  名称：

  Titze, Christoph; Hermann, Joerg; Vahrenkamp, Heinrich, Chemische Berichte, 1995, vol. 128, # 11, p. 1095 - 1104

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4,5-三甲基吡唑 、 氯仿 在 四丁基溴化铵 、 水 、 sodium carbonate 作用下， 反应 72.0h， 以62%的产率得到tris(3,4,5-trimethylpyrazol-1-yl)methane
  参考文献：
  名称：

  {Fe[HC(3,4,5-Me3pz)3]2}(BF4)2中电子自旋态交叉的研究

  摘要：

  报道了{Fe[HC(3,4,5-Me3pz)3]2}(BF4)2 的合成、结构、磁性和穆斯堡尔光谱特性。单晶 X 射线结构结果表明，在 150 K {Fe[HC(3,4,5-Me3pz)3]2}(BF4)2 具有与在 220 K 观察到的结构非常相似的结构三角扭曲八面体，高自旋 {Fe[HC(3,5Me2pz)3]2}(BF4)2 复合物。磁性和 Mossbauer 光谱结果均表明 {Fe[HC(3,4,5Me3pz)3]2}(BF4)2 在 160 到 296 K 之间具有高自旋。冷却后，{Fe[HC(3,4,5Me3pz)3]2}(BF4)2 -Me3pz)3]2}(BF4)2 在大约 110 K 时表现出从高自旋态到低自旋态的完整电子自旋态交叉，并完全保持

  DOI：

  10.1002/ejic.200300973

文献信息

• PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND
  申请人：Inoue Hiroki

  公开号：US20110224457A1

  公开（公告）日：2011-09-15

  A method for producing an organolithium compound includes the step of reacting an aromatic compound or a halogenated unsaturated aliphatic compound and a lithiating agent in the presence of a coordinating compound containing three or more elements having a coordinating ability in a molecule, at least one thereof being a nitrogen element, or a coordinating compound containing three or more oxygen elements having a coordinating ability in a molecule, at least one of the groups containing the oxygen elements having a coordinating ability being a tertiary alkoxy group, at a temperature of −40° C. to 40° C.

  生产有机锂化合物的方法包括以下步骤：在含有一个或多个具有分子中配位能力的三个或更多元素的协调化合物的存在下，将芳香化合物或卤代不饱和脂肪化合物和锂试剂反应，其中至少一个元素是氮元素；或者在含有一个或多个具有分子中配位能力的三个或更多氧元素的协调化合物的存在下，其中至少一个含有配位能力的氧元素的基团是三级烷氧基团，反应温度为-40°C至40°C。
• Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation
  作者：Christoph Müller、Alexander Koch、Helmar Görls、Sven Krieck、Matthias Westerhausen

  DOI：10.1021/ic5025907

  日期：2015.1.20

  This expected coordination behavior has been observed for tris(3,4,5-trimethylpyrazolyl)methane (1a), which yields the alkaline-earth-metal bis[tris(3,4,5-trimethylpyrazolyl)methanides] of magnesium (1b), calcium (1c), strontium (1d), and barium (1e) via deprotonation of 1a with dibutylmagnesium and [AeN(SiMe3)2}2] (Ae = Mg, Ca, Sr, and Ba, respectively). Barium complex 1e degrades during recrystallization

  三吡唑基甲烷化物通常作为金属离子的强三齿碱。已观察到三（3,4,5-三甲基吡唑基）甲烷（1a）的预期配位行为，产生了镁（1b）的碱土金属双[三（3,4,5-三甲基吡唑基）甲烷]。，钙（1c），锶（1d）和钡（1e）通过二丁基镁和[Ae N（SiMe 3）2 } 2 } 2 ]（Ae = Mg，Ca，Sr和Ba分别）对1a进行质子化而得到。钡络合物1e尝试从芳烃和醚中重结晶时发生降解。在这些蝎形配合物中，金属离子嵌入扭曲的八面体配位球中。相反，三（3-噻吩并吡唑基）甲烷（2a）显示出显着不同的反应性。二丁基镁不能使2a去质子化，而[Ae N（SiMe 3）2 } 2 ]（Ae = Ca，Sr和Ba）可以平滑地金属化2a。然而，Ca（2c），Sr（2d）和Ba（2e）代表中间体，并在形成碱土金属双（3-噻吩并吡唑酸酯），钙（3c），锶（3d）和钡（3e）并消除四（3-噻吩并吡唑基）乙烯（4
• Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst
  申请人：TOSOH CORPORATION

  公开号：US20020035029A1

  公开（公告）日：2002-03-21

  A catalyst used for trimerization of ethylene into 1-hexene is descrobed, which comprises (i) a specific organometallic complex having a neutral multidentate ligand having a tripod structure, (ii) an alkylaluminoxane, and an optional ingredient selected from: (iii) a halogenated inorganic compound, (iv) a specific alkyl group-containing compound, (v) a combination of a halogenated inorganic compound with a specific alkyl group-containing compound, (vi) an amine compound and/or an amide compound, and (vii) a combination of an amine compound and/or an amide compound with a specific alkyl group-containing compound.

  一种用于将乙烯三聚化为 1-己烯的催化剂已被脱色，它包括(i)一种特定的有机金属络合物，该络合物具有一个三脚架结构的中性多叉配体；(ii)一种烷基铝氧烷；以及一种选自下列物质的任选成分：(iii)卤代无机化合物；(iv)烷基铝氧烷： (iii) 卤化无机化合物、 (iv) 含特定烷基的化合物、 (v) 卤代无机化合物与特定含烷基化合物的组合、 (vi) 一种胺化合物和/或一种酰胺化合物，以及 (vii) 氨基化合物和/或酰胺化合物与特定含烷基化合物的组合。
• Synthesis, spectroscopic and structural characterization of Cu(II) derivatives of tris(pyrazol-1-yl)methanes
  作者：Domenico Martini、Maura Pellei、Claudio Pettinari、Brian W. Skelton、Allan H. White

  DOI：10.1016/s0020-1693(02)00772-7

  日期：2002.5

  The reaction between CuX2 (X = ClO4, NO3, Cl, Br and CH3COO) and excess of tris(pyrazol-1-yl)methane ligands L (L = CH(pz)(3). CH(4-Mepz)(3), CH(3,5-Me(2)pz)(3), CH(3,4,5-Me(3)pz)(3) or CH(3-Mepz)(2)(5-Mepz)) yields [CuX2(L)], [CuX2}(3)(L-2)(2)] or [Cu(L-2)]X-2-type complexes. The ligand to metal ratio is dependent on the number and disposition of the Me substituents on the azole-type ligand and mainly on the nature of the counter-ion X. All complexes have been characterized in the solid state as well as in solution (IR and UV spectra, and conductivity determinations). The solid-state structures of [Cu(3,5-Me(2)pz)(3)CH}(2)](NO3)(2), [Cu(3,5-Me(2)pz)(3)CH}(2)](ClO4)(2).0.5H(2)O, [Cu(3,4,5-Me(3)pz)(3)CH}(2)](NO3)(2).H2O, [Cu(4-Mepz)(3)CH}(2)]Br-2.3H(2)O have been determined by single crystal X-ray studies. (C) 2002 Elsevier Science B.V. All rights reserved.
• Silver derivatives of tris(pyrazol-1-yl)methanes. A silver(I) nitrate complex containing a tris(pyrazolyl)methane coordinated in a bridging mode
  作者：Augusto Cingolani、Effendy、Domenico Martini、Maura Pellei、Claudio Pettinari、Brian W. Skelton、Allan H. White

  DOI：10.1016/s0020-1693(01)00690-9

  日期：2002.1

  The reaction of AgX (X = ClO4, NO3 or SO3CH3) acceptors with excesses of tris(pyrazol-1-yl)methane ligands L (L = CH(pz)(3) CH(4-MePZ)(3), CH(3,5-Me(2)pz)(3), CH(3,4,5-Me(3)pz)(3) or CH(3-MePZ)(2)(5-Mepz)) yields 1:1 [AgX(L)], 2:1 [Ag(L)(2)]X or 3:2 [(AgX)2(L)31 complexes. The ligand to metal ratio in all complexes is dependent on the number and disposition of the Me substituents on the azole ring of the neutral ligand and on the nature of the Ag(l) acceptor. All complexes have been characterized in the solid state as well as in solution (medium- and far-IR, H-1 and C-13 NMR and conductivity determinations) and the solid-state structures of [Ag(NO3)pz)(3)CH}]((infinity/infinity)) and [Ag(3,5-Me(2)pz)(3)CH}(2)]NO3 determined by single crystal X-ray studies. (C) 2002 Elsevier Science B.V. All rights reserved.