MoCl(CO)2(η3-CH2C(C(O)O(n-butyl)CCH2)(1,10-phenanthroline) | 725227-87-2

• 英文名称: MoCl(CO)2(η3-CH2C(C(O)O(n-butyl)CCH2)(1,10-phenanthroline)
• CAS: 725227-87-2
• 化学式: C₂₃H₂₁ClMoN₂O₄
• 分子量: 520.824
• InChiKey: KXMAKLYMWVVSSG-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  Ph4P{MoCl(CO)3(1,10-phenanthroline)} 、 1,4-二氯-2-丁炔 、 正丁醇 以 正丁醇 为溶剂， 生成 MoCl(CO)2(η3-CH2C(C(O)O(n-butyl)CCH2)(1,10-phenanthroline)
  参考文献：
  名称：

  Solvent-controlled formation of η3-butadienyl or η3-allyl group 6 transition metal complexes in water or alcohols

  摘要：

  Preparation of acyl chloride, ester, amide or thioester-substituted eta(3)-butadienyl complexes of the type [MCl(CO)(2)(eta(3)-CH2C(COXR)C=CH2)(L-2)] (M = Mo,W; XR = Cl, OR, NHR, SR; L-2 = 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline) from 1,4-dichloro-2-butyne and Ph4P[MCl(CO)(3)(L-2)] in water resulted in improved yields (M = Mo) and recycling of reagents. Whilst analogous reactions in anhydrous methanol to yield either substituted eta(3)-butadienyl (XR = OR) or eta(3)-allyl [MoCl(CO)(2)(eta(3)-CH2C(CO2R)C(OR)Me)(phen)] were dependent upon the presence of organic bases or ethers, reactions in propanol or butanol gave the eta(3)-butadienyl complexes only. Possible mechanisms are discussed. Halide extraction from ester or amide butadienyl complexes in hydroxylic solvents gave highly reactive cations of the type [Mo(CO)(2)(eta(3)-butadienyl)(phen)(solvent](+), and carboxylate products were obtained by displacement of metal-bound solvent by glucuronate or hydroxybutyrate ions. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.03.037