2-(3-methoxyphenyl)-2-methylpropane-1,3-diol | 187725-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-methoxyphenyl)-2-methylpropane-1,3-diol
• CAS: 187725-48-0
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: HUYVWTQLWLEWGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-methoxyphenyl)-2-methylpropane-1,3-diol 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 106.0h， 生成 Acetic acid (S)-3-(tert-butyl-dimethyl-silanyloxy)-2-(3-methoxy-phenyl)-2-methyl-propyl ester
  参考文献：
  名称：

  Asymmetric construction of benzylic quaternary carbons by lipase-mediated enantioselective transesterification of prochiral α,α-disubstituted 1,3-propanediols

  摘要：

  The asymmetric differentiation by lipase-catalysed transesterification of prochiral alpha,alpha-disubstituted 1,3-propanediols 5 and 11 was accomplished in good enantiomeric excess and high chemical yield. The absolute configuration of the corresponding monoacetates (+)-2a and (-)-12a were determined by conversion into known key intermediates used in the synthesis of (-)-aphanorphine and (+)-eptazocine. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(96)00500-9
• 作为产物：
  描述：

  dimethyl 2-methyl-2-(3-methoxyphenyl)malonate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以86%的产率得到2-(3-methoxyphenyl)-2-methylpropane-1,3-diol
  参考文献：
  名称：

  Asymmetric construction of benzylic quaternary carbons by lipase-mediated enantioselective transesterification of prochiral α,α-disubstituted 1,3-propanediols

  摘要：

  The asymmetric differentiation by lipase-catalysed transesterification of prochiral alpha,alpha-disubstituted 1,3-propanediols 5 and 11 was accomplished in good enantiomeric excess and high chemical yield. The absolute configuration of the corresponding monoacetates (+)-2a and (-)-12a were determined by conversion into known key intermediates used in the synthesis of (-)-aphanorphine and (+)-eptazocine. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(96)00500-9

文献信息

• Asymmetric construction of benzylic quaternary carbons by lipase-mediated enantioselective transesterification of prochiral α,α-disubstituted 1,3-propanediols
  作者：Antoine Fadel、Philippe Arzel

  DOI：10.1016/s0957-4166(96)00500-9

  日期：1997.1

  The asymmetric differentiation by lipase-catalysed transesterification of prochiral alpha,alpha-disubstituted 1,3-propanediols 5 and 11 was accomplished in good enantiomeric excess and high chemical yield. The absolute configuration of the corresponding monoacetates (+)-2a and (-)-12a were determined by conversion into known key intermediates used in the synthesis of (-)-aphanorphine and (+)-eptazocine. (C) 1997 Elsevier Science Ltd.