1-cyrhetrenyl-butane-1,3-dione | 1020170-37-9

• 英文名称: 1-cyrhetrenyl-butane-1,3-dione
• CAS: 1020170-37-9
• 化学式: C₁₂H₉O₅Re
• 分子量: 419.407
• InChiKey: CDLRXPQQBYBTCL-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

• 作为产物：
  描述：

  盐酸 、 acetylcyrhetrene 、 乙酸乙酯 在 KOC(CH₃)3 作用下， 以 四氢呋喃 、 盐酸 为溶剂， 生成 1-cyrhetrenyl-3-hydroxy-but-2-en-1-one 、 1-cyrhetrenyl-butane-1,3-dione
  参考文献：
  名称：

  β-Diketones derived from cyclopentadienyl rhenium tricarbonyl

  摘要：

  The acetyl complex (eta(5)-C5H4COCH3)Re(CO)(3) reacts with KO'Bu and an excess of appropriate ester to provide cyrhetrenyl-beta-diketones complexes (eta(5) -C5H4COCH2COR)Re(CO)(3) (R = CF3, 1a; CH3, 1b; Ph, 1c). These new 1,3-diketones exist predominantly as enol tautomer, although a enol/keto mixture of approx. 10:1 is present in complexes 1b-c, in chloroform-d solution. The complexes have been characterized by spectroscopic techniques IR, H-1 and C-13 NMR and mass spectrometry. X-ray crystallography of complex 1b shows that only the enol form occurs in the solid state. The O-C-C-C-O fragment of the molecule is planar with asymmetric enolisation in the direction furthest from the cyrhetrenyl group. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.05.027