tricarbonyl{(1,2,3,4-η)-1-n-butyl-3-methyl-1,3-cyclobutadiene}iron | 148485-29-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: tricarbonyl{(1,2,3,4-η)-1-n-butyl-3-methyl-1,3-cyclobutadiene}iron
• 英文别名: 1-Butyl-3-methylcyclobuta-1,3-diene;carbon monoxide;iron
• CAS: 148485-29-4
• 化学式: C₁₂H₁₄FeO₃
• 分子量: 262.088
• InChiKey: ZSYIQMSZPSAQJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  diiron nonacarbonyl 、 1-butyl-3-methyl-3,4-dibromo-1-cyclobutene 以 苯 为溶剂， 以84%的产率得到tricarbonyl{(1,2,3,4-η)-1-n-butyl-3-methyl-1,3-cyclobutadiene}iron
  参考文献：
  名称：

  （环丁二烯）三羰基铁配合物：1,3-和1,2,3-取代的衍生物的形成

  摘要：

  Current methods available to modify or append alkyl groups to (cyclobutadiene)tricarbonyliron limit its use and study. Using selective alkylations and rearrangements on diisopropyl squarate, we have developed simple and efficient routes to specific 1,3-disubstituted (2) and 1,2,3-trisubstituted (3) (cyclobutadiene)tricarbonyliron complexes. These methods represent the first direct syntheses of these complexes and provide new entries into potentially novel cyclobutadiene-derived synthons and complexes.

  DOI：

  10.1021/om00027a015

文献信息

• (Cyclobutadiene)tricarbonyliron complexes: formation of 1,3- and 1,2,3-substituted derivatives
  作者：Christopher M. Adams、Scott A. Joslin、Ellen S. Crawford、John E. Schemenaur

  DOI：10.1021/om00027a015

  日期：1993.3

  Current methods available to modify or append alkyl groups to (cyclobutadiene)tricarbonyliron limit its use and study. Using selective alkylations and rearrangements on diisopropyl squarate, we have developed simple and efficient routes to specific 1,3-disubstituted (2) and 1,2,3-trisubstituted (3) (cyclobutadiene)tricarbonyliron complexes. These methods represent the first direct syntheses of these complexes and provide new entries into potentially novel cyclobutadiene-derived synthons and complexes.