mono(tricarbonylchromium)-1,2;5,6-dibenzocycloocta-1,5-diene | 67840-89-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: mono(tricarbonylchromium)-1,2;5,6-dibenzocycloocta-1,5-diene
• 英文别名: (η6-{2 2}metacyclophan)(tricarbonyl)chrom
• CAS: 67840-89-5
• 化学式: C₁₉H₁₆CrO₃
• 分子量: 344.33
• InChiKey: QVWPBXINHZOYCM-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  5,6,11,12-四氢二苯并[a,e]环辛烯 、 六羰基铬 以 1,4-二氧六环 为溶剂， 生成 mono(tricarbonylchromium)-1,2;5,6-dibenzocycloocta-1,5-diene
  参考文献：
  名称：

  Bond, Alan M.; Dyson, Paul J.; Humphrey, David G., Journal of the Chemical Society, Dalton Transactions, 1999, p. 443 - 448

  摘要：

  DOI：

文献信息

• Synthesis and structure of mono- and bis(tricarbonylchromium)complexes of 1,2;5,6-dibenzocycloocta-1,5-diene
  作者：S.A Fakhri、A.Moshtaghi Zenouz

  DOI：10.1016/s0022-328x(00)00268-0

  日期：2000.8

  The mono- and bis(tricarbonylchromium)complexes of 1,2;5,6-dibenzocycloocta-1,5-diene (1) have been synthesized. Crystal structures of mono(tricarbonylchromium) complex of 1 (2) (C19H16CrO3, C2/m, a=11.838, b=11.904, c=12.379 Å, α=90.0, β=113.36, γ=90.0°, Z=4) and cis-bis(tricarbonylchromium) complex of 1 (3) (C22H16Cr2O6, P21/c, a=12.556, b=11.353, c=14.127 Å, α=90.0, β=101.38, γ=90.0°, Z=4) have

  已经合成了1,2; 5,6-二苯并环辛基-1,5-二烯（1）的单和双（三羰基铬）配合物。1（2）（C 19 H 16 CrO 3，C 2 / m，a = 11.838，b = 11.904，c = 12.379Å，α = 90.0，β = 113.36，γ = 90.0的单（三羰基铬）配合物的晶体结构°，Z = 4）和1（3）（C 22 H 16 Cr的顺式-双（三羰基铬）络合物通过X射线分析确定了2 O 6，P 2 1 / c，a = 12.556，b = 11.353 ，c = 14.127Å，α = 90.0，β = 101.38，γ = 90.0°，Z = 4）。
• Bond, Alan M.; Dyson, Paul J.; Humphrey, David G., Journal of the Chemical Society, Dalton Transactions, 1999, p. 443 - 448
  作者：Bond, Alan M.、Dyson, Paul J.、Humphrey, David G.、Lazarev, George、Suman, Priya

  DOI：——

  日期：——
• The use of (arene)chromium complexes to control the stereochemistry of [2.2]orthocyclophane
  作者：A. Moshtaghi Zenouz

  DOI：10.1016/j.molstruc.2004.06.028

  日期：2004.11

  The conformations of mono- and bis(tricarbonylchromium) complexes of 1,2;5,6-dibenzocycloocta-1,5-diene (1) have been investigated. The H-1 NMR data of free ligand 1 and those of the three complexed compounds 2-4 have been compared and discussed relative to the X-ray structures. Despite compound 1 has been found to exist as a mixture of boat and chair conformations in solution, the H-1 NMR spectra of 2 and 3 in DMSO-d(6) show only the syn configuration (boat conformation) at room temperature. The trans bis(tricarbonylchromium) complex 3 exists in a chair conformation. (C) 2004 Elsevier B.V. All rights reserved.