MoCl(CO)2(η3-CH2C(CONHCH2COO(ethyl))CCH2)(1,10-phenanthroline) | 287729-89-9

• 英文名称: MoCl(CO)2(η3-CH2C(CONHCH2COO(ethyl))CCH2)(1,10-phenanthroline)
• CAS: 287729-89-9
• 化学式: C₂₃H₂₀ClMoN₃O₅
• 分子量: 549.822
• InChiKey: XQUHUEPCLQIYCF-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

• 作为反应物：
  描述：

  二氯甲烷 、 MoCl(CO)2(η3-CH2C(CONHCH2COO(ethyl))CCH2)(1,10-phenanthroline) 、 sodium DL-3-hydroxybutyrate 在 silver tetrafluoroborate 作用下， 以 甲醇 为溶剂， 以45.9%的产率得到Mo(3-hydroxybutyrate)(CO)2(η3-CH2C(C(O)NHCH2C(O)O(ethyl))CCH2)(1,10-phenanthroline)*CH2Cl2
  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
• 作为产物：
  描述：

  MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2) 、 甘氨酸乙酯盐酸盐 在 potassium hydrogencarbonate 、 三乙胺 作用下， 以 异丙醇 为溶剂， 生成 MoCl(CO)2(η3-CH2C(CONHCH2COO(ethyl))CCH2)(1,10-phenanthroline)
  参考文献：
  名称：

  Stereochemistry of chiral, substituted η3-butadienyl molybdenum(II) complexes

  摘要：

  Chiral complexes of general type [MoCl(CO)(2)(eta(3)-CH2C(COX)C=CH2) (phen)] (phen= 1,10-phenanthroline) containing optically active substituents X have been prepared by reaction of the chlorocarbonyl ( 1) with esters of L-valine, L-alanine, L-phenylalanine, L-cysteine, L- and DL-serine or with amino alcohols (S)-(+)-1-amino-2-propanol and (S)-(+)-2-amino-1-propanol, and their diastereomers have been investigated by H-1 NMR spectroscopy. Reaction of compound 1 with diamines containing one (L-lysine) or two (L-cystine) stereogenic centres gives rise to dimeric complexes containing dibutadienyl bridging ligands, and these have been identified by a combination of synthetic and computer modelling methods. The probable spectra and structures of the corresponding poly-L-lysine derivatives are discussed. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00315-6