5-Tert-butyl-4-(2,2-dimethylpropanoyl)furan-2-carbaldehyde | 1332456-10-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Tert-butyl-4-(2,2-dimethylpropanoyl)furan-2-carbaldehyde
• 英文别名: 5-tert-butyl-4-(2,2-dimethylpropanoyl)furan-2-carbaldehyde
• CAS: 1332456-10-6
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: VZUZLYIYTWTJFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,2,6,6-Tetramethyl-4-prop-2-ynylheptane-3,5-dione 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 六氟异丙醇 为溶剂， 反应 21.0h， 以72%的产率得到5-Tert-butyl-4-(2,2-dimethylpropanoyl)furan-2-carbaldehyde
  参考文献：
  名称：

  PIFA-mediated oxidative cycloisomerization of 2-propargyl-1,3-dicarbonyl compounds: divergent synthesis of furfuryl alcohols and furfurals

  摘要：

  PhI(OCOCF3)(2) (PIFA) in the presence of trifluoroacetic acid (TFA) in CH2Cl2 efficiently promotes the oxidative cycloisomerization of 2-propargyl 1,3-dicarbonyl compounds to give 4,5-disubstituted furfuryl alcohols. PIFA in hexafluoroisopropanol (HFIP) or PIFA-BF3 center dot OEt\(2) in CH2Cl2 bring about the direct formation of furfurals from 2-propargyl 1,3-dicarbonyl compounds. In a few cases, PhI=O is suitable for the direct formation of furfurals. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.06.117

文献信息

• PIFA-mediated oxidative cycloisomerization of 2-propargyl-1,3-dicarbonyl compounds: divergent synthesis of furfuryl alcohols and furfurals
  作者：Akio Saito、Toshiyuki Anzai、Asami Matsumoto、Yuji Hanzawa

  DOI：10.1016/j.tetlet.2011.06.117

  日期：2011.9

  PhI(OCOCF3)(2) (PIFA) in the presence of trifluoroacetic acid (TFA) in CH2Cl2 efficiently promotes the oxidative cycloisomerization of 2-propargyl 1,3-dicarbonyl compounds to give 4,5-disubstituted furfuryl alcohols. PIFA in hexafluoroisopropanol (HFIP) or PIFA-BF3 center dot OEt\(2) in CH2Cl2 bring about the direct formation of furfurals from 2-propargyl 1,3-dicarbonyl compounds. In a few cases, PhI=O is suitable for the direct formation of furfurals. (C) 2011 Elsevier Ltd. All rights reserved.
• 10.3998/ark.5550190.p009.965
  作者：Saito, Akio

  DOI：10.3998/ark.5550190.p009.965

  日期：——