(κ1,η2-CH2CHC6H4S)Mo(PMe3)3(η2-CH2PMe2) | 1086602-85-8

• 英文名称: (κ1,η2-CH2CHC6H4S)Mo(PMe3)3(η2-CH2PMe2)
• CAS: 1086602-85-8
• 化学式: C₂₀H₄₂MoP₄Se
• 分子量: 581.349
• InChiKey: XJZXANVIJSMLQZ-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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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  苯并[B]硒吩 、 hexakis(trimethylphosphine)molybdenum 生成 (κ1,η2-CH2CHC6H4S)Mo(PMe3)3(η2-CH2PMe2) 、 (κ1,η2-CH2CC6H4Se)Mo(PMe3)4 、 [κ2,η4-Se(C6H4(CH)4(C6H4)Se]Mo(PMe3)2 、 [μ-Se(C6H4)(CH)C(CH)2(C6H4)](μ-Se)[Mo(PMe3)2][Mo(PMe3)2H]
  参考文献：
  名称：

  Reactivity of Mo(PMe₃)₆ towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization

  摘要：

  Mo(PMe3)(6) cleaves a C-S bond of benzothiophene to give (kappa(2)-CHCHC6H4S)MO(PMe3)(4), which rapidly isomerizes to the olefin-thiopheno late and 1-metallacyclopropene-thiophenolate complexes, (kappa(1), eta(2)-CH2CHC6H4S)Mo(PMe3)(3)(eta(2)-CH2PMe2) and (kappa(1), eta(2)-CH2CC6H4S)Mo(PMe3)(4). The latter two molecules result from a series of hydrogen transfers and are differentiated according to whether the termini of the organic fragments coordinate as olefin or eta(2)-vinyl ligands, respectively. The reactions between Mo(PMe3)(6) and selenophenes proceed differently from those of the corresponding thiophenes. For example, whereas Mo(PMe3)(6) reacts with thiophene to give eta(5)-thiophene and butadiene-thiolate complexes, (eta(5)-C4H4S)Mo(PMe3)(3) and (eta(5)-C4H5S)Mo(PMe3)(2)(eta(2)-CH2PMe2), selenophene affords the metallacyclopentadiene Complex [(kappa(2)-C4H4)Mo(PMe3)(3)(Se)](2)[Mo(PMe3)(4)] in which the selenium has been completely abstracted from the selenophene moiety. Likewise, in addition to (kappa(1), eta(2)-CH2CC6H4Se)Mo(PMe3)(4) and (kappa(1), eta(2)-CH2CHC6H4Se)Mo(PMe3)(3)(eta(2)-CH2PMe2), which are counterparts of the species observed in the benzothiophene reaction, the reaction of Mo(PMe3)6 with benzoselenophene yields products resulting from C-C coupling, namely [kappa(2), eta(4)-Se(C6H4)(CH)(4)(C6H4)Se]Mo(PMe3)(2) and [mu-Se(C6H4)(CH)C(CH)(2)(C6H4)](mu-Se)[Mo(PMe3)(2)][Mo(PMe3)(2)H].

  DOI：

  10.1021/ja8070545