5-methyl-2-(1-methyl-1-phenylethyl)cyclohexylbicyclo[2.2.1]hept-5-ene-2-carboxylate | 80868-49-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-methyl-2-(1-methyl-1-phenylethyl)cyclohexylbicyclo[2.2.1]hept-5-ene-2-carboxylate
• 英文别名: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
• CAS: 80868-49-1；100101-46-0
• 化学式: C₂₄H₃₂O₂
• 分子量: 352.517
• InChiKey: PHIGTPZTZFRCCX-QRKZILMKSA-N

物化性质

• 沸点：
  443.9±24.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.52
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (-)-8-苯基薄荷醇 在 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5-methyl-2-(1-methyl-1-phenylethyl)cyclohexylbicyclo[2.2.1]hept-5-ene-2-carboxylate
  参考文献：
  名称：

  Mixed-Ligand Arenechromium Carbonyl Complexes as Electronic Modulators

  摘要：

  A number of mixed ligand eta(6) arenechromium carbonyl complexes have been prepared and investigated for their ability to effect electronic modulation of arene chemistry. In the case of an aniline-derived system, the arenechromium carbonyl complex is able to modulate the inductive capacity of the aniline nitrogen atom and thus, regulate its anchimeric ability. In the case of 8-phenylmenthol and benzyloxazolidinone derivatives, modulation of arene ar basicity is achieved, and results suggest that important vinylarene pi-pi interactions exist in acrylate derivatives of these chiral auxiliary systems.

  DOI：

  10.1021/jo9721103

文献信息

• A reinvestigation of asymmetric induction in diels-alder reactions to chiral acrylates.
  作者：Wolfgang Oppolzer、Mark Kurth、Daniel Reichlin、Frank Moffatt

  DOI：10.1016/s0040-4039(01)90516-7

  日期：1981.1

  The chiral induction in the Diels-Alder addition 1 → 2, assessed reliably by 19F-NMR-spectroscopy of the endo-esters 4, varied between 47 - 93% in favor of the 2-(R)-adducts 2 depending on the auxiliary chiral group and the Lewis-acid catalyst.

  的手性诱导的狄尔斯-阿德耳加成1→2，通过可靠地评估19所述的F-NMR光谱内切-酯4，47之间变化-赞成2-（R）93％2取决于-adducts辅助手性基团和路易斯酸催化剂。