MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COSEt)C=CH2) | 186651-77-4

• 英文名称: MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COSEt)C=CH2)
• 英文别名: MoCl(CO)2(η3-CH2C(C(O)S(ethyl)CCH2)(1,10-phenanthroline)
• CAS: 186651-77-4
• 化学式: C₂₁H₁₇ClMoN₂O₃S
• 分子量: 508.837
• InChiKey: YLIMPZXDSXQYHE-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：

  MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2) 、 乙硫醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COSEt)C=CH2)
  参考文献：
  名称：

  Synthesis and characterisation of monomeric and dimeric 2-substituted η3-bonded butadienyl complexes of molybdenum(II)

  摘要：

  Addition of excess thiol RSH (R = Et, Pr-n, Pr-i, (n)Bu or (i)Bu) to solutions of [MoCl(CO)(2)(eta(3)-CH2C(COCl)C=CH2)(phen)] (1) (phen = 1,10-phenanthroline) gave good yields of the complexes [MoCl(CO)(2)(eta(3)-CH2C(COSR)C=CH2)(phen)], containing a 2-substituted butadienyl ligand. On reaction of 1 with 1,2-ethanedithiol in 2:1 molar ratio under basic conditions, dimeric complexes were obtained containing two metal centres bridged by a pair of 2-substituted butadienyl groups linked by the dithiol unit. Analogous dimeric complexes containing linked amido eta(3)-butadienyl groups were isolated from a similar 2:1 reaction of 1 and diamines RHN(CH2)(2)NHR (R = H or Me). However, reactions involving 1 and mixed bifunctional reactants HA(CH2)(2)BH (A = NH, B = O, S or A = O, B = S) under the same conditions gave monomeric complexes exclusively, the less electonegative atom of the donor pair remaining unreacted.

  DOI：

  10.1016/s0022-328x(96)06450-9

文献信息

• 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.