(C6HMe2(C3H2NOMe2)2)Rh(κ2-acetate)(C(CO2Me)C(CO2Me)CCPh) | 1000149-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (C6HMe2(C3H2NOMe2)2)Rh(κ2-acetate)(C(CO2Me)C(CO2Me)CCPh)
• CAS: 1000149-01-8
• 化学式: C₃₄H₃₇N₂O₈Rh
• 分子量: 704.582
• InChiKey: WUIAOCCQEMVMFY-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：

  [Rh(dm-Phebox-dm)] 以 甲苯 为溶剂， 生成 (C6HMe2(C3H2NOMe2)2)Rh(κ2-acetate)(C(CO2Me)C(CO2Me)CCPh)
  参考文献：
  名称：

  Cross-Coupling of Alkynes Catalyzed by Phebox−Rhodium Acetate Complexes

  摘要：

  Cross-coupling between terminal alkynes and dimethyl acetylenedicarboxylate (3) in the presence of 1 mol % bis(oxazolinyl)phenyl-rhodium acetate complex, (Phebox-R)Rh(OAC)(2)(H2O) (1-ip, R = Pr-i), under 1 atm hydrogen atmosphere furnished alkynyl-substituted maleic acid dimethyl esters with high Z-selectivity. Rh-acetylide complexes (Phebox-R)Rh(OAc)(-C equivalent to CPh) (5-ip, R = iPr; 5-dm, R = Me-2) were isolated on the reactions of 1-ip and 1-dm with phenylacetylene. Reactions of 5-ip and 5-dm with 3 provide the corresponding vinyl complexes (Phebox-R)Rh(OAc)(-C(CO2Me)=C(CO2Me)C equivalent to CPh) (6-ip, R = Pr-i; 6-dm, R = Me2) with E-configuration. Further reaction of 6-ip with phenylacetylene resulted in the formation of an enyene 4a accompanied by the formation of 5-ip. The molecular structures of 5-drn and 6-dm were determined by X-ray diffraction.

  DOI：

  10.1021/om700742t