(-)-1-isopropyl-2-methylpropyl (3,5-dimethylcyclohexylidene)acetate | 485841-98-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (-)-1-isopropyl-2-methylpropyl (3,5-dimethylcyclohexylidene)acetate
• 英文别名: 2,4-Dimethylpentan-3-yl 2-(3,5-dimethylcyclohexylidene)acetate；2,4-dimethylpentan-3-yl 2-(3,5-dimethylcyclohexylidene)acetate
• CAS: 485841-98-3
• 化学式: C₁₇H₃₀O₂
• 分子量: 266.424
• InChiKey: NCYRPYKMNGNKGD-UHFFFAOYSA-N

物化性质

• 沸点：
  331.3±11.0 °C(Predicted)
• 密度：
  0.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (-)-1-isopropyl-2-methylpropyl (3,5-dimethylcyclohexylidene)acetate 在 二异丁基氢化铝 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 3.0h， 以83%的产率得到(-)-(3,5-dimethylcyclohexylidene)ethanol
  参考文献：
  名称：

  External Chiral Ligand-Mediated Enantioselective Peterson Reaction of α-Trimethylsilanylacetate with Substituted Cyclohexanones

  摘要：

  graphicThe asymmetric Peterson reaction of an alpha-trimethylsilanylacetate with 4-substituted and 3,5-disubstituted cyclohexanones was mediated by an external chiral tridentate ligand to give the corresponding olefins with an axial chirality in high yields and enantioselectivities of up to 85%.

  DOI：

  10.1021/ol0269749
• 作为产物：
  描述：

  2,4-dimethyl-3-acetoxypentane 在 lithium cyclohexylisopropylamide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.5h， 生成 (-)-1-isopropyl-2-methylpropyl (3,5-dimethylcyclohexylidene)acetate
  参考文献：
  名称：

  External Chiral Ligand-Mediated Enantioselective Peterson Reaction of α-Trimethylsilanylacetate with Substituted Cyclohexanones

  摘要：

  graphicThe asymmetric Peterson reaction of an alpha-trimethylsilanylacetate with 4-substituted and 3,5-disubstituted cyclohexanones was mediated by an external chiral tridentate ligand to give the corresponding olefins with an axial chirality in high yields and enantioselectivities of up to 85%.

  DOI：

  10.1021/ol0269749

文献信息

• External Chiral Ligand-Mediated Enantioselective Peterson Reaction of α-Trimethylsilanylacetate with Substituted Cyclohexanones
  作者：Mayu Iguchi、Kiyoshi Tomioka

  DOI：10.1021/ol0269749

  日期：2002.11.1

  graphicThe asymmetric Peterson reaction of an alpha-trimethylsilanylacetate with 4-substituted and 3,5-disubstituted cyclohexanones was mediated by an external chiral tridentate ligand to give the corresponding olefins with an axial chirality in high yields and enantioselectivities of up to 85%.