[Cr(CH(C(Me)NC6H3(iPr)2)2(OTf)2]*C5H12 | 1262643-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cr(CH(C(Me)NC6H3(iPr)2)2(OTf)2]*C5H12
• 英文别名: [chromium(III)(2,4-pentane N,N'-bis(2,6-diisopropylphenyl)diketiminate)bis(triflate)] pentane monosolvate
• CAS: 1262643-05-9
• 化学式: C₅H₁₂*C₃₁H₄₁CrF₆N₂O₆S₂
• 分子量: 839.945
• InChiKey: ICLWQIHVSMHTPD-MEGHIMFKSA-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：

  [Cr(CH(C(Me)NC6H3(iPr)2)2(OTf)2] 、 正戊烷 以 正戊烷 为溶剂， 生成 [Cr(CH(C(Me)NC6H3(iPr)2)2(OTf)2]*C5H12
  参考文献：
  名称：

  The synthesis, characterization, and alkylation of nacnac chromium triflate derivatives

  摘要：

  A Cr(III) triflate coordinated by the bulky beta-diketiminate L-Me(iPr) (L-Me(iPr) = 2,4-pentane N,N'-bis(2,6-diisopropylphenyl)diketiminate) was synthesized from the corresponding bridging iodide complex [(LCr)-L-Me-Cr-iPr(mu-I)](2) by ligand substitution and subsequent oxidation with silver triflate (AgOTf). L-Me(iPr) Cr-III(OTf)(2) exhibits rare trigonal bipyramidal geometry about Cr(III). Attempts to alkylate this triflate synthon with 1,4-dilithiobutane (Li(CH2)(4)Li) led to reduction, while reaction with dimethylzinc (ZnMe2) led to a mono-alkylated product; only the reaction with methyl lithium (MeLi) was successful in generating a dialkyl. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.010