1-O-benzyl 2-O-methyl (8aS)-3,5,6,7,8,8a-hexahydronaphthalene-1,2-dicarboxylate | 162780-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-O-benzyl 2-O-methyl (8aS)-3,5,6,7,8,8a-hexahydronaphthalene-1,2-dicarboxylate
• CAS: 162780-54-3
• 化学式: C₂₀H₂₂O₄
• 分子量: 326.392
• InChiKey: FVIBUEAKJQRDQM-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.72
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-O-benzyl 2-O-methyl (8aS)-3,5,6,7,8,8a-hexahydronaphthalene-1,2-dicarboxylate 在 硼烷四氢呋喃络合物 、 hydroxide 、 双氧水 作用下， 生成
  参考文献：
  名称：

  A highly enantioselective approach to functionalized [4.n.0] bicyclic compounds

  摘要：

  The Diels-Alder reaction of benzyl, methyl (S)-2-(p-tolylsulfinyl) maleate with several 1-vinylcycloalkenes, catalyzed by TiCl4, occurred with complete regio and stereoselectivity. The regioselectivity of the sulfinyl elimination from the adducts, as well as;the stereoselectivity of the epoxidation and the hydroboration of the resulting [4.n.0] bicyclic compounds, increase with the size of the second ring.

  DOI：

  10.1016/s0040-4039(00)78213-x
• 作为产物：
  描述：

  1-乙烯基环己烯 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 51.0h， 生成 1-O-benzyl 2-O-methyl (8aS)-3,5,6,7,8,8a-hexahydronaphthalene-1,2-dicarboxylate
  参考文献：
  名称：

  A highly enantioselective approach to functionalized [4.n.0] bicyclic compounds

  摘要：

  The Diels-Alder reaction of benzyl, methyl (S)-2-(p-tolylsulfinyl) maleate with several 1-vinylcycloalkenes, catalyzed by TiCl4, occurred with complete regio and stereoselectivity. The regioselectivity of the sulfinyl elimination from the adducts, as well as;the stereoselectivity of the epoxidation and the hydroboration of the resulting [4.n.0] bicyclic compounds, increase with the size of the second ring.

  DOI：

  10.1016/s0040-4039(00)78213-x

文献信息

• Carretero Juan C., Garcia Ruano Jose L., Cabreias Luisa M. Martin, Tetrahedron Lett, 35 (1994) N 32, S 5895-5898
  作者：Carretero Juan C., Garcia Ruano Jose L., Cabreias Luisa M. Martin

  DOI：——

  日期：——