MoCl(CO)2(η3-CH2C(C(O)O(methyl)C(O(methyl)(methyl))(1,10-phenanthroline) | 156842-96-5

• 英文名称: MoCl(CO)2(η3-CH2C(C(O)O(methyl)C(O(methyl)(methyl))(1,10-phenanthroline)
• 英文别名: [Mo(CO)2(η3-CH2C(CO2Me)C=C(OMe)(Me))(1,10-phenanthroline)Cl]
• CAS: 156842-96-5
• 化学式: C₂₁H₁₉ClMoN₂O₅
• 分子量: 510.785
• InChiKey: NBYHQQQUAUNGTH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2) 在 MeOH 作用下， 以 四氢呋喃 为溶剂， 生成 MoCl(CO)2(η3-CH2C(C(O)O(methyl)C(O(methyl)(methyl))(1,10-phenanthroline)
  参考文献：
  名称：

  Brisdon, Brian J.; Hodson, Annabelle G. W.; Mahon, Mary F., Organometallics, 1994, vol. 13, # 7, p. 2566 - 2568

  摘要：

  DOI：

文献信息

• Effect of substituents on the molybdenum mediated carbonylation and methoxycarbonylation of dihaloalkynes
  作者：Annabelle G.W. Hodson

  DOI：10.1016/j.jorganchem.2006.07.024

  日期：2006.11

  (Y = Cl, Br, I; R = H or Me) or YCMe2CCCMe2Y were prepared from their diol precursors and reacted with [Mo(CO)3(phen)Y]− (phen = 1,10-phenanthroline) in chlorinated solvent, methanol or water. Formation and stability of substituted products of the type [Mo(CO)2(η3-CH(R)C(COX)CCH(R))(phen)Y] (X = Y or X = OMe) were found to be dependent upon the nature of the halogen and degree of alkyl substitution

  YCH（R）CCCH（R）Y类型的二卤代炔烃（Y = Cl，Br，I; R = H或Me）或YCMe 2 CCCMe 2 Y由其二醇前体制备并与[Mo（CO）3（ [phen] Y] -（phen = 1,10-菲咯啉）在氯化溶剂，甲醇或水中。形成与所述类型的取代的产物的稳定性[沫（CO）2（η 3 -CH（R）C（COX）CCH（R））（phen）的Y]（X = Y或X = OME）被发现是取决于卤素的性质和炔烃的烷基取代度。在与醚的甲醇的混合物中进行的反应，得到式[沫（CO）的一个替代双加成产物2（η 3 -CH（R）C（CO 2 Me）的CC（OME）（CH2 R））（phen）Y]仅对于R = H，Y = Cl。
• Synthesis and reactivity of organochalogen ester substituted η3-butadienyl complexes of Mo(II): crystal structure of [MoCl(CO)2(η3-CH2C(COSePh)CCH2)(1,10-phenanthroline)]·0.5 CH2Cl2
  作者：Annabelle G.W Hodson、Rupinder K Thind、Mary McPartlin

  DOI：10.1016/s0022-328x(02)02023-5

  日期：2002.12

  A series of organochalcogen ester substituted η3-butadienyl complexes of the type [MoCl(CO)2(η3-CH2C(COXR)CCH2)(phen)]n (phen=1,10-phenanthroline, R=alkyl, aryl) were prepared from the acyl chloride precursor (1) and either thiols (X=S, n=1–4), selenols (X=Se, n=1,2) or bis(organochalcogen) mercurials, Hg[XR]2 (X=Se, Te, n=1,2), and the structure of the first selenoester substituted η3-butadienyl

  一系列organochalcogen酯取代的η 3 -butadienyl的类型的配合物[代替MoCl（CO）2（η 3 -CH 2 C（COXR）CCH 2）（phen）的] Ñ（苯= 1,10-菲咯啉，R =烷基，芳基）是由酰氯前体（1）和硫醇（X = S，n = 1–4），硒醇（X = Se，n = 1,2）或双（有机och ）汞，汞制备的[XR] 2（X =硒，碲，ñ = 1,2），并且所述第一硒代酯的结构取代η 3 -butadienyl络合物（4通过单晶X射线衍射分析确定）。与各种亲核或亲电反应的1，4或取代的配合物，XR = OME酯，进行了检查，并与那些相关的η 3 -烯丙基类似物和它们的预测的行为基于结构证据和分子建模计算。
• Solvent-controlled formation of η3-butadienyl or η3-allyl group 6 transition metal complexes in water or alcohols
  作者：Annabelle G.W Hodson、Rupinder K Thind、Oliver Granville-George

  DOI：10.1016/j.jorganchem.2004.03.037

  日期：2004.6

  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.