[Me4N][MeTe(Cr(CO)5)3] | 960503-08-6

• 英文名称: [Me4N][MeTe(Cr(CO)5)3]
• CAS: 960503-08-6
• 化学式: C₄H₁₂N*C₁₆H₃Cr₃O₁₅Te
• 分子量: 792.925
• InChiKey: UDUACIMJQSBGES-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：

  [Me4N]2[Te(Cr(CO)5)3] 、 三氟甲烷磺酸甲酯 以 乙腈 为溶剂， 以90%的产率得到[Me4N][MeTe(Cr(CO)5)3]
  参考文献：
  名称：

  Reaction of [Et₄N]₂[Te{Cr(CO)₅}_n] (n = 2, 3) toward Electrophiles:  Reactivity Comparison and Theoretical Calculations

  摘要：

  Reactions of [Et4N](2)[Te{Cr(CO)(5)}(n)] (n = 2, 3) with a series of organic and inorganic electrophiles have been systematically studied and compared. When [Et4N](2) [Te{Cr(CO)(5)}(2)] was protonated with similar to 1.0 equiv of HBF4 in MeCN, the monohydrido Te - Cr complex [Et4N][HTe{Cr(CO)(5)}(2)] ([Et4N][1]) was obtained. However, similar protonation of [Et4N](2)[Te{Cr(CO)(5)}(3)] led to the formation of the decomposition product [Et4N](2)[Te-2{Cr(CO)(5)}(4)]. While methylation of [Et4N](2)[Te{Cr(CO)(5)}(2)] with CF3SO3Me formed mono- and dimethylated products [Et4N][MeTe{Cr(CO)(5)}(2)] and Me2Te{Cr(CO)(5)}(2) (2) stepwise, a similar reaction with [Et4N](2)[Te{Cr(CO)(5)}(3)] produced the monomethylated product [Et4N][MeTe{Cr(CO)(5)}(3)] (3). Further, when [Et4N](2)[Te{Cr(CO)(5)}(n)] (n = 2, 3) was stirred in CH2Cl2 at 0 degrees C, the Cl-functionalized products [Et4N][ClH2CTe{Cr(CO)(5)}(n)] (n = 2, [Et4N][4]; n = 3, [Et4N][5]) were produced, respectively. Similar reactions with CH2Cl2 at room temperature produced corresponding CH2-bridged dimeric products [Et4N](2)[CH2Te2{Cr(CO)(5)}(n)] (n = 4; 6, [Et4N](2)[6]). If the bisbenzyl-containing reagent ClH,C(C6H4)(2)CH2Cl reacted with [Et4N](2)[Te{Cr(CO)(5)}(n)] (n = 2, 3), the corresponding CH2(C6H4)(2)CH2-bridged dimeric complexes [Et4N](2)[H2C(C6H4)(2)CH2Te2{Cr(CO)(5)}(n)] (n = 4, [Et4N](2)[7]; n = 6, [Et4N](2)[8]) were produced. [Et4N](2)[Te{Cr(CO)(5)}(n)] (n = 2, 3) could further react with HgCl2 in THF to give corresponding Hgbridged products [Et4N](2)[HgTe2{Cr(CO)(5)}(n)] (n = 4, [Et4N](2)[9]; n = 6, [Et4N](2)[10]). Complex 9 was found to transform to complex 10 upon its reaction with HgCl2 in THE Interestingly, the novel O-2 activation product [Et4N][OTe{Cr(CO)(5)}(2)] ([Et4N][11]) was observed when [Et4N](2)[Te{Cr(CO)(5)}(2)] was bubbled with O-2 in MeCN. Complexes 1 - 11 were fully characterized by elemental analysis, spectroscopic methods, and/or single-crystal X-ray analysis. The nature of [Te{Cr(CO)(5)}(n)](2-) (n = 2, 3) and the resultant complexes were further investigated by molecular orbital calculations at the B3LYP level of the density functional theory.

  DOI：

  10.1021/om700789a