(cycloheptatriene)diiron hexacarbonyl | 51403-97-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (cycloheptatriene)diiron hexacarbonyl
• 英文别名: Carbon monoxide;cyclohepta-1,3,5-triene;iron
• CAS: 51403-97-5
• 化学式: C₁₃H₈Fe₂O₆
• 分子量: 371.897
• InChiKey: HYOOLJLBSGILRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (cycloheptatriene)diiron hexacarbonyl 、 sodium hexamethyldisilazane 以 苯 为溶剂， 以70%的产率得到sodium (cycloheptatrienyl)Fe2(carbonyl)6
  参考文献：
  名称：

  Moll, Matthias; Behrens, Helmut; Popp, Werner, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 11, p. 1446 - 1453

  摘要：

  DOI：

文献信息

• Novel reaction of (cycloheptatriene)diiron hexacarbonyl with aryllithium reagents. A new route to diiron carbonyl complexes with a bridging carbyne ligand
  作者：Yong Yu、Jiabi Chen、Jian Chen、Peiju Zheng

  DOI：10.1021/om00036a007

  日期：1993.12

  The reaction of (cycloheptatriene)diiron hexacarbonyl (1) with aryllithium reagents, ArLi (Ar = p-CH3C6H4,p-CH3OC6H4,p-ClC6H4,P-CF3C6H4, C6Cl5), in diethyl ether at low temperature afforded acylmetalate intermediates, whose alkylation with Et3OBF4 in aqueous solution at 0-degrees-C gave five new olefin - coordinated dimetal bridging carbyne complexes, Fe2(CO)4mu-eta4:eta3-C7H7C-(OC2H5)Ar[mu-C(OC2H5)]} (2, Ar = p-CH3C6H4; 3, Ar = p-CH3OC6H4, 4, Ar = p-ClC6H4; 5, Ar = p- CF3C6H4, 6, Ar = C6Cl5). The structure of 5 was established by single-crystal X-ray diffraction. Complex 5 crystallizes in the monoclinic system, space group C2/c, with a = 24.725(8) angstrom, b = 14.544(2) angstrom, c = 13.950(1) angstrom, beta = 103.10(6)-degrees, V = 4886.2(2) angstrom3, Z = 8, D(calcd) = 1.561 g/cm3, R = 0.045, and R(w) = 0.047 for 2094 reflections with I > 3sigma(I).