tricarbonyl[(2,5-η(4))-(2E,4E)-2,4-hexadiene-1,6-diol]iron(0) | 159310-75-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tricarbonyl[(2,5-η(4))-(2E,4E)-2,4-hexadiene-1,6-diol]iron(0)
• 英文别名: carbon monoxide;(2E,4E)-hexa-2,4-diene-1,6-diol;iron
• CAS: 159310-75-5；146437-06-1
• 化学式: C₉H₁₀FeO₅
• 分子量: 254.022
• InChiKey: FMNSOOPCLDJOOC-YWUQBMRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.03
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diiron nonacarbonyl 、 2,4-己二烯-1,6-二醇 以 四氢呋喃 为溶剂， 以80%的产率得到tricarbonyl[(2,5-η(4))-(2E,4E)-2,4-hexadiene-1,6-diol]iron(0)
  参考文献：
  名称：

  New ferracyclic π-allyl and η3-pentadienyl complexes by carbonylative lactonization of unsaturated diols

  摘要：

  Various types of mono- and binuclear ferracyclic (eta(3)-allyl)iron complexes were prepared from unsaturated diols. Chelated tricarbonylironcarbene complexes 5 and 7 featuring a partially ligated (1,3-eta(3))-pentadienyl ligand were built up from the diene-1,2-diols 4 or 8, respectively. 2-Hexyn-4-ene-1,6-diol (12) reacted with enneacarbonyldiiron to furnish the binuclear 1-lactonyl-(1,3-pi:2-sigma)-allyldiiron complex 13 under mild conditions. Its structural details are discussed. Similar complexes 17 with five- to seven-membered lactone substituents at the allyl ligand were prepared likewise from the corresponding 2-alkyne-1,n-diols (16). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00041-9

文献信息

• New ferracyclic π-allyl and η3-pentadienyl complexes by carbonylative lactonization of unsaturated diols
  作者：Rainer Schobert、Hermann Pfab、Anett Mangold、Frank Hampel

  DOI：10.1016/s0020-1693(99)00041-9

  日期：1999.8

  Various types of mono- and binuclear ferracyclic (eta(3)-allyl)iron complexes were prepared from unsaturated diols. Chelated tricarbonylironcarbene complexes 5 and 7 featuring a partially ligated (1,3-eta(3))-pentadienyl ligand were built up from the diene-1,2-diols 4 or 8, respectively. 2-Hexyn-4-ene-1,6-diol (12) reacted with enneacarbonyldiiron to furnish the binuclear 1-lactonyl-(1,3-pi:2-sigma)-allyldiiron complex 13 under mild conditions. Its structural details are discussed. Similar complexes 17 with five- to seven-membered lactone substituents at the allyl ligand were prepared likewise from the corresponding 2-alkyne-1,n-diols (16). (C) 1999 Elsevier Science S.A. All rights reserved.