η(6)-(terephthalic anhydride)Cr(CO)3 | 57560-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: η(6)-(terephthalic anhydride)Cr(CO)3
• 英文别名: terephthalaldehyde tricarbonylchromium；(η(6)-C6H4(p-CHO)2)Cr(CO)3；Carbon monoxide;chromium;terephthalaldehyde
• CAS: 57560-53-9
• 化学式: C₁₁H₆CrO₅
• 分子量: 270.162
• InChiKey: ZANGGYYNSDYJOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  η(6)-(terephthalic anhydride)Cr(CO)3 在 potassium carbonate 、 1-diazo-2-oxopropyl dimethylphosphonate 作用下， 以 甲醇 为溶剂， 以70%的产率得到(η6-1,4-diethynylbenzene)tricarbonylchromium
  参考文献：
  名称：

  Dialkynylated and functionalized alkynylated areneCr(CO)3-complexes—syntheses and structures of carbon rich chromium-complexed benzenes

  摘要：

  The dialkynylated eta(6)-(arene)Cr(CO)(3)-complexes 2 and 3 can be synthesized: (a) by Sonogashira coupling Of alkynes with dihalo areneCr(CO)(3)-complexes: or (b) very efficiently by a Horner-Emmons-Wadsworth related acetylene synthesis with readily available Cr(CO)(3)-complexed aryl aldehydes. The structural constitution of two novel difunctional alkynyl arene complexes (2a and 6) was confirmed by X-ray crystal structure analyses. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)01127-9
• 作为产物：
  描述：

  在 盐酸 、 sodium carbonate 作用下， 以 四氢呋喃 、 盐酸 、 水 为溶剂， 以85%的产率得到η(6)-(terephthalic anhydride)Cr(CO)3
  参考文献：
  名称：

  Mesomorphic (η⁶-arene)tricarbonylchromium complexes

  摘要：

  The first family of (eta(6)-arene)tricarbonylchromium complexes containing thermotropic liquid crystals has been prepared and the mesomorphic properties studied. Enantiotropic smectic C and-nematic phases were observed. Comparison of their X-ray diffraction characteristics and liquid-crystalline behaviour with those of the metal-free analogues emphasized the influence of the organometallic unit on the mesophase features.

  DOI：

  10.1039/dt9960002533

文献信息

• An organometallic polyimine copolymer prepared from {η6-1,4-bis(CHO)C6H4}Cr(CO)3 and 1,3-phenylenediamine
  作者：Michael E. Wright、Charlotte K. Lowe-Ma

  DOI：10.1016/0020-1693(94)04374-5

  日期：1995.4

  The organometallic comonomer η6-1,4-bis(CHO)C6H4}(CO)3 (1) was prepared from η6-1,4-bis(Bu3Sn)C6H4}Cr(CO)3 by Seyferth transmetalation and then treatment with N,N-dimethylformamide. Complex 1 was characterized by a single-crystal X-ray diffraction study: triclinic, P1, a=6.860(1), b=12.649(3), c=13.480(6) A, α=111.10(3), β=90.30(3), γ=94.76(2)°, V=1086.8(6) A3, Z=4, R=3.93%, Rw=4.58%, GOF=1.15. Complex

  有机金属共聚单体η6-1,4-bis（CHO）C6H4}（CO）3（1）由η6-1,4-bis（Bu3Sn）C6H4} Cr（CO）3通过赛弗特（Seyferth）重金属化然后处理而制得用N，N-二甲基甲酰胺。配合物1的特征在于单晶X射线衍射研究：三斜晶系，P1，a = 6.860（1），b = 12.649（3），c = 13.480（6）A，α= 111.10（3），β= 90.30（3），γ= 94.76（2）°，V = 1086.8（6）A3，Z = 4，R = 3.93％，Rw = 4.58％，GOF = 1.15。将配合物1与1，3-苯二胺共聚以产生有机金属-聚亚胺2（97％，Tm ＝ 282℃）。有机金属-聚亚胺2具有完全共轭的有机聚合物主链。该共聚物不溶于普通的有机溶剂，通常是刚性棒状聚合物。
• Redox active alkenyl-bridged bi- and trinuclear arene–Cr(CO)3-complexes by Horner–Emmons–Wadsworth olefinations
  作者：Thomas J.J Müller

  DOI：10.1016/s0022-328x(98)01111-5

  日期：1999.4

  Alkenyl-bridged arene-Cr(CO)(3)-complexes 2 are readily synthesized in good yields by Horner-Emmons-Wadsworth (HEW) olefinations from Cr(CO)(3)-complexed benzylphosphonates 1 and organometallic aldehydes. The resulting bi- and trinuclear homo- and heterometallic complexes display a strong electronic coupling between the metal fragments as shown by a strong correlation of the CO resonances in the carbon NMR spectra and the chromiumcarbonyl metal-ligand charge transfer (MLCT) bands in the UV/vis spectra. Furthermore, the electrochemistry of the oligonuclear complexes 2 was investigated by cyclic voltammetry. (C) 1999 Elsevier Science S.A. All rights reserved.
• Youinou, Marie-Therese; Suffert, Jean; Ziessel, Raymond, Angewandte Chemie, 1992, vol. 104, p. 796 - 799
  作者：Youinou, Marie-Therese、Suffert, Jean、Ziessel, Raymond

  DOI：——

  日期：——
• Dialkynylated and functionalized alkynylated areneCr(CO)3-complexes—syntheses and structures of carbon rich chromium-complexed benzenes
  作者：Thomas J.J Müller、Markus Ansorge、Kurt Polborn

  DOI：10.1016/s0022-328x(98)01127-9

  日期：1999.4

  The dialkynylated eta(6)-(arene)Cr(CO)(3)-complexes 2 and 3 can be synthesized: (a) by Sonogashira coupling Of alkynes with dihalo areneCr(CO)(3)-complexes: or (b) very efficiently by a Horner-Emmons-Wadsworth related acetylene synthesis with readily available Cr(CO)(3)-complexed aryl aldehydes. The structural constitution of two novel difunctional alkynyl arene complexes (2a and 6) was confirmed by X-ray crystal structure analyses. (C) 1999 Elsevier Science S.A. All rights reserved.
• Mesomorphic (η⁶-arene)tricarbonylchromium complexes
  作者：Eduardo Campillos、Robert Deschenaux、Anne-Marie Levelut、Raymond Ziessel

  DOI：10.1039/dt9960002533

  日期：——

  The first family of (eta(6)-arene)tricarbonylchromium complexes containing thermotropic liquid crystals has been prepared and the mesomorphic properties studied. Enantiotropic smectic C and-nematic phases were observed. Comparison of their X-ray diffraction characteristics and liquid-crystalline behaviour with those of the metal-free analogues emphasized the influence of the organometallic unit on the mesophase features.