(η(6)-4-Et2N-C6H4-CHO)Cr(CO)3 | 176172-69-3

• 英文名称: (η(6)-4-Et2N-C6H4-CHO)Cr(CO)3
• CAS: 176172-69-3
• 化学式: C₁₄H₁₅CrNO₄
• 分子量: 313.273
• InChiKey: QCALYWIUIGMBLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (η(6)-4-Et2N-C6H4-CHO)Cr(CO)3 、 (CH₃(CH₂)3)3PCH₂CHCHCH₂P((CH₂)3CH₃)3⁽²⁺⁾*2Cl^(1-)=[(CH₃(CH₂)3)3PCH₂CHCHCH₂P((CH₂)3CH₃)3]Cl₂ 在 NaN(SiMe₃)2 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以33%的产率得到[E,E,E-η(6)-4-Et2N-C6H4-(CH=CH)3-η(6)-C6H4-4'-NEt2][Cr(CO)3]2
  参考文献：
  名称：

  Syntheses and structures of bis(tricarbonylchromium)-substituted α,ω-diphenylhexatriene complexes

  摘要：

  Treatment of several (4-substituted benzaldehyde)chromium tricarbonyl complexes with bisphosphoranes provides the first examples of (4,4'-substituted alpha, omega-diphenylhexatriene)bis(chromium tricarbonyl) complexes in good yield. Systems containing both donor and acceptor substituents may be prepared. The structures of three examples, [E,E,E-eta(6)-4-R-C6H4-(CH=CH)(3)-eta(6)-C6H4-4'-R] [Cr(CO)(3)](2), (R = Me(2)N, 1; R = Me(3)Si, 3; R = F3C, 4) have been determined by single crystal X-ray diffraction. The results demonstrate that the olefinic portions of the molecules adopt the all trans E,E,E conformation, and that the tricarbonylchromium groups adopt anti orientations on each face of the organic plane. Compounds 3 and 4 are soluble enough to allow acquisition of H-1 NMR spectra of sufficient quality to allow the accurate simulation of the resonances corresponding to the olefinic protons. The simulations suggest that the hexatriene moiety behaves as three independent double bonds, in accord with the structural results.

  DOI：

  10.1016/0022-328x(95)05892-s