methyl 2,2-diethyl-1-tetralone-6-carboxylate | 945736-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 2,2-diethyl-1-tetralone-6-carboxylate
• 英文别名: Methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate；methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
• CAS: 945736-50-5
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: VRBNTNJAWXPWEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2,2-diethyl-1-tetralone-6-carboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以98%的产率得到2,2-diethyl-1-tetralone-6-carboxylic acid
  参考文献：
  名称：

  Asymmetric synthesis of tricyclic tetralin derivatives via an intramolecular photoreaction

  摘要：

  An intramolecular photoreaction for the synthesis of tricyclic tetralin derivatives through a Norrish/Yang type cyclization is described. Asymmetric studies on this reaction using ionic chiral auxiliaries gave enantiomeric excesses of up to 99% at conversions of 80%, and the reaction mechanism was mapped out by a single crystal-to-single crystal reaction. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.04.072
• 作为产物：
  描述：

  4-[(4-甲基苯基)磺酰基]哌啶盐酸盐 在 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 48.17h， 生成 methyl 2,2-diethyl-1-tetralone-6-carboxylate
  参考文献：
  名称：

  Asymmetric synthesis of tricyclic tetralin derivatives via an intramolecular photoreaction

  摘要：

  An intramolecular photoreaction for the synthesis of tricyclic tetralin derivatives through a Norrish/Yang type cyclization is described. Asymmetric studies on this reaction using ionic chiral auxiliaries gave enantiomeric excesses of up to 99% at conversions of 80%, and the reaction mechanism was mapped out by a single crystal-to-single crystal reaction. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.04.072