3,3,5-trimethyl-2,2-bis(trifluoromethyl)-4-methoxy-3-azonia-2-borata-oxacyclohex-5-ene | 131260-21-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: 3,3,5-trimethyl-2,2-bis(trifluoromethyl)-4-methoxy-3-azonia-2-borata-oxacyclohex-5-ene
• 英文别名: 4-methoxy-3,3,6-trimethyl-2,2-bis(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohex-5-ene
• CAS: 131260-21-4
• 化学式: C₉H₁₄BF₆NO₂
• 分子量: 293.017
• InChiKey: MDJMXFSBBNQHLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  4-甲氧基-3-丁烯-2-酮 、 dimethylaminobis(trifluoromethyl)borane 以 正戊烷 为溶剂， 以60%的产率得到3,3,5-trimethyl-2,2-bis(trifluoromethyl)-4-methoxy-3-azonia-2-borata-oxacyclohex-5-ene
  参考文献：
  名称：

  [2 + 4] Cycloaddition reactions of dialkylaminobis(trifluoromethyl)boranes with 1,3-dienes, β-unsaturated carbonyl compounds and methyl methacrylate. Crystal structures of (CF3)2H2, R = Me and Et, and (CF3)2

  摘要：

  and characterized by multinuclear NMR spectroscopy and by mass spectrometry, and IR and Raman spectroscopy. The crystal structures of the compounds (CF3)2H2, R = Me and Et, and (CF3)2 have been determined by X-ray diffraction studies. They show that the BN and BCF3 bonds are somewhat longer than those in acyclic amine adducts of bis(trifluoromethyl)boranes. Furthermore, evidence is presented for steric

  DOI：

  10.1016/0022-328x(90)85467-d

文献信息

• ANSORGE, A.;BRAUER, D. J.;BURGER, H.;DORRENBACH, F.;HAGEN, T.;PAWELKE, G.+, J. ORGANOMET. CHEM., 396,(1990) N-3, C. 253-267
  作者：ANSORGE, A.、BRAUER, D. J.、BURGER, H.、DORRENBACH, F.、HAGEN, T.、PAWELKE, G.+

  DOI：——

  日期：——
• [2 + 4] Cycloaddition reactions of dialkylaminobis(trifluoromethyl)boranes with 1,3-dienes, β-unsaturated carbonyl compounds and methyl methacrylate. Crystal structures of (CF3)2H2, R = Me and Et, and (CF3)2
  作者：A. Ansorge、D.J. Brauer、H. Bürger、F. Dörrenbach、T. Hagen、G. Pawelke、W. Weuter

  DOI：10.1016/0022-328x(90)85467-d

  日期：1990.10

  and characterized by multinuclear NMR spectroscopy and by mass spectrometry, and IR and Raman spectroscopy. The crystal structures of the compounds (CF3)2H2, R = Me and Et, and (CF3)2 have been determined by X-ray diffraction studies. They show that the BN and BCF3 bonds are somewhat longer than those in acyclic amine adducts of bis(trifluoromethyl)boranes. Furthermore, evidence is presented for steric