1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol | 444811-66-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol
• 英文别名: 1-butoxy-3-(cyclopenta-1,4-dienyl)propan-2-ol；3-cyclopentadienyl-1-butoxy-2-propanol；1-Butoxy-3-cyclopenta-1,4-dien-1-ylpropan-2-ol
• CAS: 444811-66-9
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: WHEYRLDKYZZGDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tris(bis(trimethylsilyl)amido)lanthanum(III) 、 1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol 、 1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol 以 四氢呋喃 为溶剂， 以48%的产率得到bis[(1-butoxy-3-cyclopentadienylpropan-2-olato)bis(trimethylsilyl)amidolanthanum]
  参考文献：
  名称：

  Trifonov, A. A.; Fedorova, E. A.; Kirillov, E. N., Russian Chemical Bulletin, 2002, vol. 51, p. 684 - 690

  摘要：

  DOI：
• 作为产物：
  描述：

  正丁基缩水甘油醚 、 sodium cyclopentadienide 以 乙二醇二甲醚 为溶剂， 反应 5.0h， 生成 1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol 、 1-butoxy-3-(cyclopenta-1,3-dienyl)propan-2-ol
  参考文献：
  名称：

  摘要：

  The oxirane-ring opening of butyl glycidyl ether with cyclopentadienylsodium or indenylsodium afforded cyclopentadienyl- and indenyl-substituted alcohols RHCH2CH(OH)CH2OBun (R = C5H4 (1) or 3-C9H6 (2), respectively), which were used as tridentate ligands. The reactions of these compounds with Ln[N(SiMe3)(2)](3) produced the lanthanide complexes {[(eta(5)-R)CH2CH (mu(2):eta(1)-O)CH2OBun]Ln(SiMe3)(2)}(2) (R = C5H4, Ln = La (3), Pr (4), Er (5), Lu (6); or R = 1-C9H6, Ln = La (7)). The coordination spheres of the metal atoms in these complexes involve simultaneously the eta(5)-cyclopentadienyl (indenyl), bridging alkoxide, and terminal amide ligands. The complexes were characterized by microanalysis, IR and NMR spectroscopy, and magnetochemistry. The crystal and molecular structure of complex 3 was established by single-crystal X-ray diffraction analysis.

  DOI：

  10.1023/a:1015880504573

文献信息

• A new half-sandwich Yb(II) complex with the tridentate cyclopentadienyl ligand [C 5 H 4 CH 2 CH(O)CH 2 OBu n ] 2− : synthesis, self-assembly of a tetranuclear cubane-like framework {[(η 5 -C 5 H 4 )CH 2 CH(μ 3 :η 1 -O)CH 2 OBu n ]Yb} 4 and oxidative alkylation by Me 2 Hg to the Yb(III) derivative [(η 5 -C 5 H 4 )CH 2 CH(η 1 -O)CH 2 OBu n ]YbMe(THF)
  作者：Alexander A Trifonov、Evgenii N Kirillov、Axel Fischer、Frank T Edelmann、Mikhail N Bochkarev

  DOI：10.1016/s0022-328x(01)01235-9

  日期：2002.3

  The synthesis and crystal structure of the tetranuclear Yb(II) half-sandwich complex [(eta(5)-C5H4)CH2CH(mu(3):eta(1)-O)CH2OB"]Yb}(4) (1) are presented. Redox transmetalation reaction of 1 with Me2Hg yields a methyl derivative of trivalent ytterbium, [(eta(5)-C5H4)CH2CH(eta(1)-O)CH2OBu"]YbMe(THF) (2). Complex 2 is shown to possess a low catalytic activity in propylene polymerization. (C) 2002 Elsevier Science B.V. All rights reserved.