potassium tetrahydrofurfuryl cyclopentadienide | 229315-06-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: potassium tetrahydrofurfuryl cyclopentadienide
• 英文别名: potassium tetrahydrofurfurylcyclopentadienide
• CAS: 229315-06-4
• 化学式: C₁₀H₁₃O*K
• 分子量: 188.311
• InChiKey: WZPYOMWLOAHQDG-HNCPQSOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  potassium tetrahydrofurfuryl cyclopentadienide 、 molybdenum hexacarbonyl 在 iron(III) sulfate 作用下， 以 二乙二醇二甲醚 为溶剂， 生成 [(tetrahydrofurfurylcyclopentadienyl)Mo(CO)3]2
  参考文献：
  名称：

  Gallagher, Michelle; Dougherty, Pat; Tanner, Pamela S., Inorganic Chemistry, 1999, vol. 38, p. 2953 - 2956

  摘要：

  DOI：

文献信息

• Synthesis and crystal structure of lanthanide sandwich complexes with mixed cyclooctatetraenyl and chelating ether side chain-cyclopentadienyl ligands: crystal structures of (η5-MeOCH2CH2Cp)Nd(η8-C8H8)(THF) and (η5-C4H7OCH2C5H4)La(η8-C8H8)(THF)
  作者：Qiancai Liu、Xiaoqiang Shen、Jiling Huang、Yanlong Qian、Albert Sun-Chi Chan、Wing-Tak Wong

  DOI：10.1016/s0277-5387(99)00384-8

  日期：2000.2

  LnCl(3) reacted with K2C8H8 in THF in the ratio 1:1 at room temperature and formed (C8H8)LnCl . nTHF, which was then treated with RCpK-THF (RCp = MeOCH2CH2C5H4 or C4H7OCH2C5H4) to yield the title complexes (eta(5)-RCp)Ln(eta(8)-C8H8) (THF) (Ln = Nd (1) and Sm (2), RCp = MeOCH2CH2C5H4; Ln = La (3), Nd (4) and Sm (5), RCp = C4H7OCH2C5H4). The crystal structures of complexes 1 and 3 were determined by X-ray diffraction and revealed that the oxygen atoms of the ether group on the cyclopentadienyl ring is coordinated to the central metal atom. The central lanthanum atom is in a distorted tetrahedral geometry. The average bond distances Nd-C(eta(8)) and Nd-C(eta(5)) are 2.697(2) and 2.749(2) Angstrom, respectively, while the Nd-O(THF) and Nd-O(eta(1)) distances are 2.580(1) and 2.619(1) Angstrom, respectively. The average bond lengths La-C(eta(5)) and La-C(eta(8)) are 2.842(7) and 2.740(8) Angstrom, respectively. The La-O(THF) and La-O(eta(1)) distances are 2.607(4) and 2.633(4) Angstrom. (C) 2000 Elsevier Science Ltd All rights reserved.