[WCl(CO)2(η(3)-CH2C(COOMe)C=CH2)(1,10-phenathroline)] | 217460-40-7

• 英文名称: [WCl(CO)2(η(3)-CH2C(COOMe)C=CH2)(1,10-phenathroline)]
• CAS: 217460-40-7
• 化学式: C₂₀H₁₅ClN₂O₄W
• 分子量: 566.653
• InChiKey: VOAVCXZMDNBYBZ-UHFFFAOYSA-M

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：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲醇 、 [Ph4P][W(CO)3Cl(1,10-phenathrolline)] 、 1,4-二氯-2-丁炔 在 NEt₃ 作用下， 以 甲醇 为溶剂， 以64%的产率得到[WCl(CO)2(η(3)-CH2C(COOMe)C=CH2)(1,10-phenathroline)]
  参考文献：
  名称：

  Preparation, Mechanism, and Structural Study of Group 6 Transition Metal 2-Substituted η³-Butadienyl Complexes:  Crystal Structure of [WCl(CO)₂{η³-CH₂C(COSBuⁿ)CCH₂}(1,10-phenanthroline)]

  摘要：

  The complexes [WCl(CO)(2)(eta(3)-CH2C(COX)C=CH2)L-2] (X = Cl; L-2 = 2,2'-bipyridyl, 1,10-phenanthroline) (1) containing a 2-substituted butadienyl ligand were isolated from reactions of Ph4P[WCl(CO)(3)L-2] and excess 1,4-dichlorobut-2-yne in chlorinated solvents. Spectroscopic evidence supports analogous reactions for the chromium analogue. Addition of 1 to alcohol, amine, or thiol (HX) gave good yields of the related ester (X = OMe), amide (X = NEt2), or thiolate (X = SBun) complexes, respectively. Mechanisms and supporting evidence for the formation of 1 and the ester complex are proposed and discussed. Some differences in reactivity of Ph4P[MCl(CO)(3)L-2] with 1,4-dichlorobut-2-yne in methanol are reported for M = Mo and M = W. The structure of [WCl(CO)(2)(eta(3)-CH2C(COSBun)C=CH2)(1,10-phenanthroline)] was confirmed by single-crystal X-ray diffraction analysis.

  DOI：

  10.1021/om980521j