2-isopropyl-5-methyl-1-hexen-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-isopropyl-5-methyl-1-hexen-3-one
• 英文别名: 2,6-Dimethyl-3-methylideneheptan-4-one；2,6-dimethyl-3-methylideneheptan-4-one
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: GQVIZLDZYDPONN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 二异丁基酮 在 吗啉 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 2-isopropyl-5-methyl-1-hexen-3-one
  参考文献：
  名称：

  Baker's yeast reduction of α-methyleneketones

  摘要：

  The bioreduction of alpha -methyleneketones. (RC)-C-1(-O)C(-CH2)R-2 (R-1= Me, Et, Pr, iso-Bu, Ph. CH2CH2Ph: R-2 =Cl, Me, Et, n-Pr, iso-Pr. n-Bu, n-C6H13, Ph, CH2Ph), was mediated by baker's yeast (Saccharomyees cerevisiae) to obtain the corresponding alpha -methylkelones. The R-1 and R-2 groups had a significant influence on the rate and enantioselectivity of the reductions. The rate or C-C bond reduction was higher than that of C-O bond reduction. Only alpha -methyleneketones having R-1 = Me yielded alpha -methylketones in high enantioselectivity with e.e.s of 88-99%. (C) 2001 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00134-3

文献信息

• Baker's yeast reduction of α-methyleneketones
  作者：Ezequias P. Siqueira Filho、J.Augusto R. Rodrigues、Paulo J.S. Moran

  DOI：10.1016/s0957-4166(01)00134-3

  日期：2001.4

  The bioreduction of alpha -methyleneketones. (RC)-C-1(-O)C(-CH2)R-2 (R-1= Me, Et, Pr, iso-Bu, Ph. CH2CH2Ph: R-2 =Cl, Me, Et, n-Pr, iso-Pr. n-Bu, n-C6H13, Ph, CH2Ph), was mediated by baker's yeast (Saccharomyees cerevisiae) to obtain the corresponding alpha -methylkelones. The R-1 and R-2 groups had a significant influence on the rate and enantioselectivity of the reductions. The rate or C-C bond reduction was higher than that of C-O bond reduction. Only alpha -methyleneketones having R-1 = Me yielded alpha -methylketones in high enantioselectivity with e.e.s of 88-99%. (C) 2001 Elsevier Science Ltd, All rights reserved.
• Preparation of α-Methylene Ketones by Direct Methylene Transfer
  作者：J. Augusto R. Rodrigues、Ezequias P. Siqueira-Filho、Moacir de Mancilha、Paulo J. S. Moran

  DOI：10.1081/scc-120015719

  日期：2003.3

  Four methods for the preparation of alpha-methylene ketones by direct methylene transfer are presented. The procedures were optimized in order to obtain high yields.