cis,trans-(η(5);η(5)-fulvalene)W2(CO)4(P(C6H5)2CH3)2Cl2 | 245759-98-2

• 英文名称: cis,trans-(η(5);η(5)-fulvalene)W2(CO)4(P(C6H5)2CH3)2Cl2
• CAS: 245759-98-2；245730-37-4
• 化学式: C₄₀H₃₄Cl₂O₄P₂W₂
• 分子量: 1079.26
• InChiKey: COIPSGFGMHWOEU-UHFFFAOYSA-L

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：

  四氯化碳 、 (η(5);η(5)-fulvalene)W2(CO)4(P(C6H5)2CH3)2H2 以 二氯甲烷 为溶剂， 以99%的产率得到cis,trans-(η(5);η(5)-fulvalene)W2(CO)4(P(C6H5)2CH3)2Cl2
  参考文献：
  名称：

  Hydrogen–halogen exchange reactions of (η5:η5-C10H8)W2(CO)4(PPh2Me)2H2 with CCl4 and CHI3; characterization of (η5:η5-C10H8)W2(CO)4(PPh2Me)2X2 (X=Cl, I) and crystal structure determination of the iodide

  摘要：

  Hydrogen-halogen exchange reactions of FvW(2)(CO)(4)(PPh2Me)(2)H-2 (1) with CCl4 and CHI3 gave FvW(2)(CO)(4)(PPh2Me)(2)Cl-2 (2) and FvW(2)(CO)(4)(PPh2Me)(2)I-2, (3), respectively, in nearly quantitative isolated yield (Fv = eta(5):eta(5)-C10H8, fulvalene). Both reactions were shown by H-1- and P-31{H-1}-NMR spectroscopy to proceed via FvW(2)(CO)(4)(PPh2Me)(2)HX (X = Cl, I) intermediates. Two isomers of the hydrido-halide complexes, containing a cis or trans halide half, were identified in the reaction mixtures. When the reactions were complete, 3 was found to maintain an equilibrium mixture of cis,cis (D,L-/meso- = 1:1), cis,trans and trans,trans isomers in solution. The equilibrium was strongly solvent dependent. While minor amounts of the cis,trans (but no trans,trans) isomer were also detected during the formation of 2, this compound was found to exist solely as a 1:1 mixture of D,L- and meso-cis,cis isomers in equilibrated solutions. Crystallization of 3 gave the meso-cis,cis isomer, which was characterized by X-ray diffraction. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00174-6