Natrium-tert-butylcyclopentadienid | 55562-84-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: Natrium-tert-butylcyclopentadienid
• 英文别名: sodium tert-butylcyclopentadienide；sodium t-butylcyclopentadienide；Natrium-tert-butyl-cyclopentadienid；Sodium;1-tert-butylcyclopenta-1,3-diene
• CAS: 55562-84-0
• 化学式: C₉H₁₃*Na
• 分子量: 144.192
• InChiKey: PTXBSBZLIGYRBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Natrium-tert-butylcyclopentadienid 在 lithium aluminium tetrahydride 、 正丁基锂 、 18-冠醚-6 、 四甲基乙二胺 、 碘 、 sodium hydride 、 氯化铵 、 copper dichloride 作用下， 以 乙二醇二甲醚 、 二乙二醇二甲醚 为溶剂， 反应 52.5h， 生成 2,5-di-t-butyl-7H-cyclopentapentalene
  参考文献：
  名称：

  Synthesis of the 2,5-di-t-butyl-cyclopenta[a]pentalenide ion: A novel 12π-electron system

  摘要：

  DOI：

  10.1016/s0040-4039(01)80182-9

文献信息

• Conformational control of intramolecular arene stacking in ferrocene complexes bearing tert-butyl and pentafluorophenyl substituents
  作者：Paul A Deck、Caleb E Kroll、W Gary Hollis、Frank R Fronczek

  DOI：10.1016/s0022-328x(01)00878-6

  日期：2001.12

  tert-butyl substituents are splayed, enabling transannular stacking of the C6F5 groups. In meso-5, steric repulsion of the two tert-butyl substituents prevents intramolecular arene stacking. The reaction of the diarylated ligand (4, two equivalents) with FeBr2 in THF affords 1,1′,2,2′-tetrakis(pentafluorophenyl)-4,4′-di-tert-butylferrocene (6). The crystal structure of 6 reveals no arene stacking.

  叔丁基环戊二烯酸钠与C 6 F 6和NaH在THF中的反应得到1-五氟苯基-3-叔丁基环戊二烯（1，为双键区域异构体的混合物）或1,2-双（五氟苯基）-4 -叔丁基环戊二烯（2），取决于反应条件。在THF中用NaH处理1得到1-五氟苯基-3-叔丁基环戊二烯酸钠（3）。在THF中用NaH处理2得到1,2-双（五氟苯基）-4-叔丁基-环戊二烯酸钠（4）。所述monoarylated配体（反应3中，两个当量）与FeBr 2的THF溶液，得到1,1'-双（五氟苯基）-3,3'-二-叔-butylferrocene为两种非对映（内消旋- 5和外消旋- 5）通过从己烷中分步结晶将其分离。rac - 5的X射线晶体结构显示出构象，其中两个相对的叔丁基取代基张开，使得C 6 F 5基团可以环过堆积。在内消旋- 5，两者的空间排斥叔丁基取代基可防止分子内芳烃堆积。二芳基化的配体（4，两个当量）与FeBr 2在THF中的反应得到1
• Spectroscopic evidence for the formation of a bridged lithium dicyclopentadienyl lithiate complex
  作者：M. Eiermann、K. Hafner

  DOI：10.1021/ja00027a019

  日期：1992.1

  One- and two-dimensional NMR and DNMR studies including Li-6 NMR prove the formation of a ferrocene-bridged lithium bis(vinylcyclopentadienyl)lithiate complex 8 in THF solution. Two different dynamic processes could be detected: the exchange of the ate-bound lithium ion with the solvent-separated lithium species and the intramolecular rotation of the hydrocarbon decks, involving the cleavage of the ate complex in the transition state. From the activation parameters of both processes derived from NMR line shape simulation it is shown that the lithium ion exchange process should proceed without the loss of the chelate conformation.
• Eiermann, Matthias; Stowasser, Bernd; Hafner, Klaus, Chemische Berichte, 1990, vol. 123, # 6, p. 1421 - 1431
  作者：Eiermann, Matthias、Stowasser, Bernd、Hafner, Klaus、Bierwirth, Klaus、Frank, Anette、et al.

  DOI：——

  日期：——
• Dipolar Cycloadditions of Mesoionic Compounds with 2-tert-Butylfulvenes. A New Route to Pseudo-hetero-azulenes via Sterically Assisted [4π + 6π] Cycloadditions, and Isomerization of Adducts[1, 2]
  作者：Hiroshi Kato、Tomoshige Kobayashi、Mona Ciobanu、Akikazu Kakehi

  DOI：10.1016/s0040-4020(97)00337-2

  日期：1997.7

  Several mesoionic compounds react with 2-tert-butylfulvene derivatives to form [4 pi+6 pi] and/or [4 pi+2 pi] cycloadducts. They undergo further fragmentation elimination or isomerization under the reaction conditions to give a variety of products including several condensed heterocycles which are isoelectronic with azulene. An oxazolium-4-olate, on contact with a small amount of air was found to form a tricyclic oxygenated dimer. (C) 1997 Elsevier Science Ltd.
• Hafner, Klaus; Thiele, Georg F.; Mink, Carsten, Angewandte Chemie, 1988, vol. 100, # 9, p. 1213 - 1215
  作者：Hafner, Klaus、Thiele, Georg F.、Mink, Carsten

  DOI：——

  日期：——