[(Mo(CO)2(η3-methallyl)(1,10-phenanthroline))2(μ-κN:κN'-imidazolate)](triflate) | 1250442-47-7

• 英文名称: [(Mo(CO)2(η3-methallyl)(1,10-phenanthroline))2(μ-κN:κN'-imidazolate)](triflate)
• 英文别名: [(Mo(CO)2(η3-C4H7)(phen))2(μ-Im)]OTf
• CAS: 1250442-47-7
• 化学式: CF₃O₃S*C₃₉H₃₃Mo₂N₆O₄
• 分子量: 990.679
• InChiKey: JSSODDXHKIZOER-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：

  [Mo(triflate)(CO)2(η3-methallyl)(1,10-phenanthroline)] 、 [Mo(CO)2(η3-methallyl)(1,10-phenanthroline)(imidazole)][B(3,5-bis(trifluoro)phenyl)4] 在 KN(Si(CH₃)3)2 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以53%的产率得到[(Mo(CO)2(η3-methallyl)(1,10-phenanthroline))2(μ-κN:κN'-imidazolate)](triflate)
  参考文献：
  名称：

  Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands

  摘要：

  Compounds [Re(bipy)(CO)(3)(Hlm)]OTf (1) and [Mo(eta(3)-C3H4-R-2)(CO)(2)(Hlm)(Phen)]BAr'(4) [R = Me (2a), H (2b); Ar' = 3,5-bis(trifluoromethyl)phenyl; Hlm = 1H-imidazole] were prepared from 1H-imidazole and either [Re(OTf(bipy)-(CO)(3)] or [MoCl(eta(3)-C3H4-R-2)(CO)(2)(Phen)]. Compounds 1, 2a, and 2b were deprotonated to afford the terminal kappa-N-imidazolate complexes [Re(bipy)(CO)(3)(lm)] (3) and [Mo(eta(3)-C3H4-R-2)(CO)(2)(lm)(phen)] [R = Me (4a), H (4b)], which were fully characterized, including an X-ray structural determination of 3. The topological analysis of the electron density (obtained from the X-ray diffraction study) and its Laplacian were used to characterize the differences in the electron density at the five-membered ring ligand between the imidazole and imidazolate complexes 1 and 3. The reaction of complexes 3, 4a, and 4b with the appropriate organometallic complexes afforded the bimetallic imidazolate-bridged compounds [{Re(bipy)(CO)(3)}(2)(mu-lm)]OTf (5), [{Mo(eta(3)-C4H7)(CO)(2)(Phen)}(2)(mu-lm)]OTf (6), and [{Mo(eta(3)-C3H5)(CO)(2)(phen)}(mu-lm){Re(Phen)(CO)(3)}]OTf (7). The reaction of [Mo(eta(3)-C4H7)(CO)(2)(lm)(Phen)] (4a) with SnClPh3 led to the formation of the trinuclear complex [{Mo(eta(3)-C4H7)(CO)(2)(Phen)(mu-lm)}(2){SnPh3}]BAr'(4) (8).

  DOI：

  10.1021/ic1012395