3,3,3-triethynyl-4-methylene-3l5-oct-6-en-1-yne | 126460-46-6

• 英文名称: 3,3,3-triethynyl-4-methylene-3l5-oct-6-en-1-yne
• CAS: 126460-46-6
• 化学式: C₉H₇CoO₅
• 分子量: 254.145
• InChiKey: DOGPAWJPOWCPKQ-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

• 作为反应物：
  描述：

  吡啶 、 3,3,3-triethynyl-4-methylene-3l5-oct-6-en-1-yne 在 一氧化碳 作用下， 以 甲醇 为溶剂， 生成 hexapyridinecobalt(II) bis(tetracarbonylcobaltate)
  参考文献：
  名称：

  Mechanism of the Pyridine-Modified Cobalt-Catalyzed Hydromethoxycarbonylation of 1,3-Butadiene

  摘要：

  The pyridine-modified cobalt-catalyzed hydromethoxycarbonylation of 1,3-butadiene (1) starts by the disproportionation of CO(2)(8)((CO)) (to [CoPy)(][CO(CO))(])(6)(4)(2) (followed by the formation of HCo(CO))(4) ((3). The addition of 3 to 1 leads to CH)(CH=CHCH)(Co(CO))(3)(2)(4) ((4), which, depending on the conditions, can undergo facile CO insertion to yield CH)(CH=CHCH)(COCo(CO))(3)(2)(4) ((5) or reversible decarbanylation to form h3-C)(H)(Co(CO))(4)(7)(3) (7). Pyridine accelerates the conversion of 7 to methyl-3-pentenoate (2) and the methanolysis of 5.

  DOI：

  10.1021/om030058x
• 作为产物：
  描述：

  (η1-CH3CHCHCH2)Co(CO)4 、 一氧化碳 以 甲醇 为溶剂， 生成 3,3,3-triethynyl-4-methylene-3l5-oct-6-en-1-yne
  参考文献：
  名称：

  Mechanism of the Pyridine-Modified Cobalt-Catalyzed Hydromethoxycarbonylation of 1,3-Butadiene

  摘要：

  The pyridine-modified cobalt-catalyzed hydromethoxycarbonylation of 1,3-butadiene (1) starts by the disproportionation of CO(2)(8)((CO)) (to [CoPy)(][CO(CO))(])(6)(4)(2) (followed by the formation of HCo(CO))(4) ((3). The addition of 3 to 1 leads to CH)(CH=CHCH)(Co(CO))(3)(2)(4) ((4), which, depending on the conditions, can undergo facile CO insertion to yield CH)(CH=CHCH)(COCo(CO))(3)(2)(4) ((5) or reversible decarbanylation to form h3-C)(H)(Co(CO))(4)(7)(3) (7). Pyridine accelerates the conversion of 7 to methyl-3-pentenoate (2) and the methanolysis of 5.

  DOI：

  10.1021/om030058x