dimethyl 9-(n-butyl)-8-methylene-12-tosyl-12-azatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-11,11-dicarboxylate | 1261994-32-4

• 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: dimethyl 9-(n-butyl)-8-methylene-12-tosyl-12-azatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-11,11-dicarboxylate
• 英文别名: Dimethyl 9-butyl-8-methylidene-12-(4-methylphenyl)sulfonyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate；dimethyl 9-butyl-8-methylidene-12-(4-methylphenyl)sulfonyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
• CAS: 1261994-32-4
• 化学式: C₂₇H₃₁NO₆S
• 分子量: 497.612
• InChiKey: YXAAVBUBOYOHSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-butyl-buta-2,3-dien-1-ol 在 吡啶 、 palladium diacetate 、 三溴化磷 、 potassium carbonate 作用下， 以 乙醚 、 丙酮 、 乙腈 为溶剂， 反应 19.3h， 生成 dimethyl 9-(n-butyl)-8-methylene-12-tosyl-12-azatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-11,11-dicarboxylate
  参考文献：
  名称：

  One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols ando-Iodobenzaldehyde or Imine

  摘要：

  A Pd(OAc)(2)-catalyzed reaction of 2,3-alkadienyl malonates or 2,3-allenols with o-lodobenzaldehyde or Its N-tosyl imine occurred smoothly In MeCN at 80 degrees C to form the oxa- or aza-bridged benzocycloheptane derivatives with Important biological potential. With the optically active 2,3-allenols, the absolute configurations of all the three chiral centers have been conveniently established.

  DOI：

  10.1021/ol102811x

文献信息

• One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and<i>o</i>-Iodobenzaldehyde or Imine
  作者：Qiankun Li、Xinpeng Jiang、Chunling Fu、Shengming Ma

  DOI：10.1021/ol102811x

  日期：2011.2.4

  A Pd(OAc)(2)-catalyzed reaction of 2,3-alkadienyl malonates or 2,3-allenols with o-lodobenzaldehyde or Its N-tosyl imine occurred smoothly In MeCN at 80 degrees C to form the oxa- or aza-bridged benzocycloheptane derivatives with Important biological potential. With the optically active 2,3-allenols, the absolute configurations of all the three chiral centers have been conveniently established.