[6,6,10,10,10-(CO)5-6,7-(PEt3)2-closo-6,10,1-Fe2CB7H7] | 868382-84-7

• 英文名称: [6,6,10,10,10-(CO)5-6,7-(PEt3)2-closo-6,10,1-Fe2CB7H7]
• CAS: 868382-84-7
• 化学式: C₁₈H₃₇B₇Fe₂O₅P₂
• 分子量: 582.807
• InChiKey: BILVSYAQPBRPDH-UHFFFAOYSA-N

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：

  [6,6,6,10,10,10-(CO)6-7-SMe2-closo-6,10,1-Fe2CB7H7] 、 三乙基膦 在 (CH₃)3NO 作用下， 以 二氯甲烷 为溶剂， 以55%的产率得到[6,6,10,10,10-(CO)5-6,7-(PEt3)2-closo-6,10,1-Fe2CB7H7]
  参考文献：
  名称：

  Synthesis and Reactivity of the 9- and 10-Vertex Iron−Monocarborane Anions [7,7,7-(CO)₃-closo-7,1-FeCB₇H₈]^- and [6,6,6,10,10,10-(CO)₆-closo-6,10,1-Fe₂CB₇H₈]^-

  摘要：

  The reagent [NBu(4)(n)] [closo-1-CB(7)H(8)] reacts with [Fe(3)(CO)(12)] in THF at reflux temperatures to give the anion [7,7,7-(CO)(3)-closo-7,1-FeCB(7)H(8)](-), isolated as the [N(PPh(3))(2)](+) salt (1a). Further heating with excess [Fe(3)(CO)(12)] inserts a second {Fe(CO)(3)} fragment to yield [6,6,6, 10,10,10-(CO)(6)-closo-6,10,1-Fe(2)CB(7)Hs](-), also isolated as its [N(PPh(3))(2)](+) salt (2). Compounds 1a and 2 react with [CuCl(PPh(3))](4) and Tl[PF6] to yield the bi- and trimetallic complexes [6,7,9-{Cu(PPh(3))}-6,9-(mu-H)(2)-7,7,7-(CO)(3)-closo-7,1-FeCB(7)H(6)] (4) and [7,10-{Cu(PPh(3))-7-(mu-H)-6,6,6,10,10,10-(CO)(6)-closo-6,10,1-Fe(2)CB(7)H(7)] (5), respectively. Compound 2 with Ag[PF(6)] and PPh3 fails to give the analogous Ag-Fe(2)CB(7) species, but instead under oxidative conditions one {Fe(CO)(3)} moiety is removed from the anion of 2 and the anion of 1a is isolated as the [Ag(PPh(3))(3)](+) salt (1b). The bimetallic species [6,7,9-{Ag(PPh(3))}-6,9-(mu-H)(2)-7,7,7-(CO)(3)-closo-7,1-FeCB(7)H(6)] (6) is also obtained. Treatment of 2 with CF(3)SO(3)H in donor solvents L yields the zwitterionic B-substituted compounds [6,6,6,10,10,10-(CO)(6)-7-L-closo-6,10,1-Fe(2)-CB(7)H(7)] (L = SMe(2) (7), THF (8)). The former of these products reacts with SMe(2) in the presence of Me(3)NO to yield the doubly substituted species [6,6,10,10,10-(CO)(5)-6,7-(SMe(2))(2)-closo-6,10,1-Fe(2)CB(7)H(7)] (9), while the latter with the nucleophile PEt(3) undergoes THF ring opening to yield [6,6,6,10,10,10-(CO)(6)-7-O(CH(2))(4)PEt(3)}-closo-6,10,1-Fe(2)CB(7)H(7)] (12).

  DOI：

  10.1021/om050584j