3-Hydroxy-3-methyl-2-methylidenebutanal | 114597-67-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Hydroxy-3-methyl-2-methylidenebutanal
• CAS: 114597-67-0
• 化学式: C₆H₁₀O₂
• 分子量: 114.144
• InChiKey: JPGAANIEYUNAGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  庚酸酐 、 3-Hydroxy-3-methyl-2-methylidenebutanal 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 乙腈 为溶剂， 以358 mg的产率得到3-formyl-2-methylbut-3-en-2yl heptanoate
  参考文献：
  名称：

  Catalytic Enantioselective Alkylative Dearomatization−Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K

  摘要：

  The asymmetric total synthesis of the polyprenylated acylphloroglucinol hyperibone K has been achieved using an enantioselective alkylative dearomatization-annulation process. NMR and computational studies were employed to probe the mode of action of a chiral phase-transfer (ion pair) catalyst.

  DOI：

  10.1021/ja1057828
• 作为产物：
  描述：

  3-hydroxymethyl-2-methylbut-3-en-2-ol 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 3-Hydroxy-3-methyl-2-methylidenebutanal
  参考文献：
  名称：

  Catalytic Enantioselective Alkylative Dearomatization−Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K

  摘要：

  The asymmetric total synthesis of the polyprenylated acylphloroglucinol hyperibone K has been achieved using an enantioselective alkylative dearomatization-annulation process. NMR and computational studies were employed to probe the mode of action of a chiral phase-transfer (ion pair) catalyst.

  DOI：

  10.1021/ja1057828

文献信息

• CLENNAN, E. L.;CHEN, XIANGNING, J. ORG. CHEM., 53,(1988) N 13, 3124-3125
  作者：CLENNAN, E. L.、CHEN, XIANGNING

  DOI：——

  日期：——
• Catalytic Enantioselective Alkylative Dearomatization−Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K
  作者：Ji Qi、Aaron B. Beeler、Qiang Zhang、John A. Porco, Jr.

  DOI：10.1021/ja1057828

  日期：2010.10.6

  The asymmetric total synthesis of the polyprenylated acylphloroglucinol hyperibone K has been achieved using an enantioselective alkylative dearomatization-annulation process. NMR and computational studies were employed to probe the mode of action of a chiral phase-transfer (ion pair) catalyst.