1,2,4-tri-(tert-butyl)cyclopentadiene | 129337-16-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,2,4-tri-(tert-butyl)cyclopentadiene
• 英文别名: 1,2,4-tri-tert-butyl-cyclopenta-1,3-diene；1,2,4-tri-tert-butyl-1,3-cyclopentadiene；1,2,4-tri-t-butylcyclopentadiene；1,2,4-tBu3-cyclopentadiene；1,2,4-tri-tert-butylcyclopentadienide；1,2,4-Tri-tert-butylcyclopenta-1,3-diene；1,2,4-tritert-butylcyclopenta-1,3-diene
• CAS: 129337-16-2
• 化学式: C₁₇H₃₀
• 分子量: 234.425
• InChiKey: JFRDKRKJYXJTJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2,4-tri-(tert-butyl)cyclopentadiene 在 potassium hydride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以85%的产率得到potassium 1,2,4-tri-(tert-butyl)cyclopentadienide
  参考文献：
  名称：

  Formation and crystal structures of a monomer–dimer pair of mono(cyclopentadienyl)calcium complexes, [C5(t-Bu)3H2]2CaI(THF)2 and {[C5(t-Bu)3H2]2CaI(THF)}2

  摘要：

  The mono(cyclopentadienyl)calcium iodide complex [{(Cp-3T)CaI(THF)(x)}(n)] (Cp-3T = [C-5(t-Bu)(3)H-2](-)) is generated from the 1:1 reaction of K[Cp-3T] and CaI2 in THF. No redistribution into [(Cp-3T)(2)Ca] and CaI2(THF)(n) is observed in THF solution. The mono(ring) compound crystallizes from THF as a monomer with a distorted piano stool geometry; the coordination environment around the calcium consists of a pentahapto [Cp-3T](-) ligand, an iodide, and two THF molecules. It is the first structurally authenticated monomeric mono(ring) halide complex of a heavy alkaline-earth metal. From a toluene-THF mixture, the mono(ring) complex crystallizes as an iodide-bridged dimer, with a pentahapto [Cp-3T](-) ligand and one terminal THF on each metal atom. The Ca-I and Ca-I' distances are nearly equal at 3.087(2) and 3.101(2) Angstrom. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00658-1

文献信息

• Synthesis and Properties of Diruthenium Tetrahydrides Supported by Less-substituted, Sterically Demanding Poly-<i>tert</i>-butylated Cyclopentadienyls
  作者：Takako Yanagi、Hiroharu Suzuki、Masataka Oishi

  DOI：10.1246/cl.130699

  日期：2013.11.5

  Synthesis of diruthenium tetrahydrido complexes 1 with substituted cyclopentadienyls from readily available ruthenium η3-allyl complexes 3 has been attained by LiEt3BH-mediated reaction followed by conventional protonolysis. Complexes 1d and 1e having 1,2,4-tri- and 1,3-di-tert-butylated cyclopentadienyls obtained by this protocol have sufficient thermal stability in addition to the significant lability of the Ru–H bonds.

  通过LiEt3BH介导的反应，随后进行常规的质子解离，成功合成了与已知的环戊二烯基取代基相结合的二铑四氢化合物1，这些取代基来源于易得的铑η3-烯丙基化合物3。采用该方法合成的复合物1d和1e含有1,2,4-三和1,3-二叔丁基环戊二烯基，不仅具有足够的热稳定性，还显示了Ru–H键的显著活泼性。
• Metal Atoms in the Synthesis of Metal Clusters, VIII.On the Reaction of Sterically Demanding Cyclopentadiene Ligands with Cobalt Atoms: Synthesis, Crystal Structure, Spectroscopic Behavior, and Reactivity of Di-, Tri- and Tetranuclear Hydrido Clusters of Cobalt
  作者：JöRg J. Schneider、Ullrich Specht、Richard Goddard、Carl Kriigerl

  DOI：10.1002/cber.19971300205

  日期：1997.2

  diffraction. Reaction of 1b with Co atoms afforded a single product, the dinuclear cluster [(η5-tBu3Cp)Co}2H3] (4b), whose molecular structure was determined by single-crystal X-ray diffraction. Both, 4a and 4b exhibit extremely short Co-Co distances [2.244(1) (4a) and 2.242(1) Å (4b)], as found for the Me5Cp analog [(η5-Me5Cp)Co}2H3] (4c). Reaction of an isomeric mixture of Me4EtCpH (1c) with Co atoms furnished

  Co原子与1,3- t Bu 2 CpH （1a），1,3- t Bu 2 CpH （1a），1,2,4- t Bu 3 CpH （1b）和EtMe 4 CpH的金属汽化反应描述（1c）。与1a中两个单核配合物[（η 5 -吨卜2的Cp）（η 4 -吨卜2 -1,3-环戊二烯）CO] （2A）和[（η 5 -吨卜2的Cp）2 CO]（3a）中分离，用双核钴簇一起[（η 5 -吨卜2的Cp）有限公司} 2 ħ 3 ] （4a）中与四核簇的痕量[（η 5 -吨卜2的Cp） CoH} 4 ] （5a）。通过X射线衍射确定3a和4a的分子结构。的反应1B与Co原子得到的单品，双核簇[（η 5 -吨卜3的Cp）有限公司} 2 ħ 3 ]（4b），其分子结构通过单晶X射线衍射确定。既，图4a和4b中显示出非常短的Co的Co的距离[2.244（1） （图4a）和2.242（1） （图4b） ]，发现作为用于ME
• A dinuclear Mo₂H₈ complex supported by bulky C₅H₂^tBu₃ ligands
  作者：Yasuhiro Ohki、Kodai Ishihara、Moeko Yaoi、Mizuki Tada、W. M. C. Sameera、Roger E. Cramer

  DOI：10.1039/d0cc03274c

  日期：——

  metal complexes have been found to serve as suitable precursors for the activation of small molecules without the use of reducing agents. In this study, we synthesized a dinuclear Mo2H8 complex supported by bulky C5H2tBu3 (Cp‡) ligands, Cp‡2Mo2H8 (1), from the reaction of Cp‡MoCl4 with KC8 under H2. The hydrides of complex 1 can be replaced with benzene at 60 °C to afford a μ-benzene complex Cp‡2Mo2H2(μ-C6H6)

  已经发现，氢化物桥接的过渡金属络合物可用作活化小分子而不使用还原剂的合适前体。在这项研究中，我们通过Cp • MoCl 4与KC的反应合成了由大体积C 5 H 2 t Bu 3（Cp •）配体Cp • 2 Mo 2 H 8（1）支撑的双核Mo 2 H 8配合物。在H 2下为8。配合物1的氢化物可在60°C下用苯代替，得到μ-苯配合物Cp‡ 2 Mo 2 H 2（μ- C6 H 6）（ 2）。
• P ₈ and P ₁₂ as Complex Ligands
  作者：Otto J. Scherer、Gerald Berg、Gotthelf Wolmershäuser

  DOI：10.1002/cber.19961290112

  日期：1996.1

  AbstractThe thermal and/or photochemical reaction of [Cp‴Co(CO)2] (1), Cp‴ = 1,2,4‐tBu3C5H2, with white phosphorus, P4, gives besides [(Cp‴Co)2 (P2)2] (2) the trinuclear complexes [(Cp‴Co)3P8] (3) and [(Cp‴Co)3P12] (4), the Pn ligands of which form P5–P3 and P5–P7 skeletons, structural motifs, which formally can be derived from Hittorf's phosphorus. The X‐ray crystal structure analysis of 3 confirmed its P5–P3 framework.
• Schneider, Joerg J.; Specht, Ullrich, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 4, p. 684 - 686
  作者：Schneider, Joerg J.、Specht, Ullrich

  DOI：——

  日期：——