3-ferrocenylmethylidene-2,4-dimethylpentane-2,4-diol | 790677-10-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: 3-ferrocenylmethylidene-2,4-dimethylpentane-2,4-diol
• 英文别名: cyclopenta-1,3-diene;3-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,4-dimethylpentane-2,4-diol;iron(2+)
• CAS: 790677-10-0
• 化学式: C₁₈H₂₄FeO₂
• 分子量: 328.234
• InChiKey: JENQBANEAVNJFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-ferrocenylmethylidene-2,4-dimethylpentane-2,4-diol 在 POCl₃ 、 pyridine 作用下， 以 甲苯 为溶剂， 以64%的产率得到3-ferrocenylmethylidene-2,4-dimethylpenta-1,4-diene
  参考文献：
  名称：

  Cross-conjugated 3-ferrocenylmethylidene-2,4-dimethylpenta-1,4-diene in cationic cycloaddition and proton-catalyzed cyclodimerization reactions

  摘要：

  Cationic cycloaddition of cross-conjugated 3-ferrocenylmethylidene-2,4-dimethylpenta-1,4-diene to 1-ferrocenyl-2-isopropenyl-3,3-dimethylallylium tetrafluoroborate and its proton-catalyzed cyclodimerization result in diferrocenylbicyclo[3.3.1]nonene derivatives. The spatial structure of one of the reaction products, viz., ferroceno[4,5]-{9-ferrocenylmethylidene-1, 3,3,8, 10-pentamethyltricyclo[6.3. 1.0(2,6)]dodec-2(6)-ene), was established based on the data from X-ray diffraction analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.031
• 作为产物：
  描述：

  3-(ferrocenylmethylidene)pentane-2,4-dione 、 甲基锂 以 乙醚 、 苯 为溶剂， 以67%的产率得到3-ferrocenylmethylidene-2,4-dimethylpentane-2,4-diol
  参考文献：
  名称：

  Cross-conjugated 3-ferrocenylmethylidene-2,4-dimethylpenta-1,4-diene in cationic cycloaddition and proton-catalyzed cyclodimerization reactions

  摘要：

  Cationic cycloaddition of cross-conjugated 3-ferrocenylmethylidene-2,4-dimethylpenta-1,4-diene to 1-ferrocenyl-2-isopropenyl-3,3-dimethylallylium tetrafluoroborate and its proton-catalyzed cyclodimerization result in diferrocenylbicyclo[3.3.1]nonene derivatives. The spatial structure of one of the reaction products, viz., ferroceno[4,5]-{9-ferrocenylmethylidene-1, 3,3,8, 10-pentamethyltricyclo[6.3. 1.0(2,6)]dodec-2(6)-ene), was established based on the data from X-ray diffraction analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.031