| 131703-27-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 131703-27-0
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: FUDGUIUFAKPEMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  五羰基铁 、 在 溶剂黄146 作用下， 以 二乙二醇 为溶剂， 以25%的产率得到di-μ-carbonyl-dicarbonylbis{(2-hydroxyethyl)-η5-cyclopentadienyl}diiron(Fe-Fe)
  参考文献：
  名称：

  光化学反应性聚合物；沿聚合物主链包含Cp2Mo2（CO）6或Cp2Fe2（CO）4分子的聚氨酯的合成与表征

  摘要：

  The syntheses of oligomeric urethanes containing Mo-Mo or Fe-Fe bonds along the backbone are reported. Reaction of the organometallic ''diol'' (eta-5-C5H4C(O)CH2OH)2Mo2(CO)6 with OCN(CH2)6NCO (hexamethylene diisocyanate; HMDI) gave [-OCH2C(O)C5H4(CO)3Mo-Mo(CO)3C5H4C(O)CH2OC(O)NH(CH2)6NHC(O)-]n (n = 4-5). Similarly, reaction of (eta-5-C5H4CH2CH2OH)2Mo2(CO)6 with HMDI gave [-OCH2CH2C5H4- (CO)3Mo-Mo(CO)3C5H4CH2CH2OC(O)NH(CH2)6NHC(O)-]n (n = 6-8) and reaction of (eta-5-C5H4CH2CH2OH)2Fe2(CO)4 with HMDI gave [-OCH2CH2CH2C5H4(CO)2Fe-Fe(CO)2C5H4CH2CH2OC(O)NH-(CH2)6NHC(O)-]n (n = 2-3). A copolymer with a lower density of metal-metal bonds along the backbone was synthesized by reacting (eta-5-C5H4CH2CH2OH)2Mo2(CO)6 and HO(CH2)4OH with HMDI. The polyurethanes were characterized by elemental analysis, by infrared, H-1 NMR, and electronic absorption spectroscopy, and by molecular weight. With certain preparations, MBAR(n) values up to 16000 (n congruent-to 20) were obtained. As an aid to the spectroscopic characterization of the complexes, model complexes were synthesized by reacting monoisocyanates with the metal-metal bonded diols. For example, [CH3(CH2)5NHC(O)OCH2CH2C5H4(CO)3Mo-Mo(CO)3C5H4CH2CH2)(O)NH(CH2)5CH3] was synthesized by reacting (eta-5-C5H4CH2CH2OH)2Mo2(CO)6 with CH3(CH2)5NCO. Because of the metal-metal bonds along the backbone, the polyurethanes are photochemically reactive, undergoing metal-metal bond photolysis reactions similar to the Cp2Mo2(CO)6 and Cp2Fe2(CO)4 dimers.

  DOI：

  10.1021/om00048a026