(1S,17S)-18,18-dimethyl-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene | 213979-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: (1S,17S)-18,18-dimethyl-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene
• CAS: 213979-84-1
• 化学式: C₁₉H₁₈N₂
• 分子量: 274.365
• InChiKey: ZYAPQLAOZSXDRF-DZGCQCFKSA-N

物化性质

• 沸点：
  457.405±40.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  碘代异丁烷 、 (1S,17S)-18,18-dimethyl-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene 在 lithium diisopropyl amide 作用下， 生成 (1S,16R,17S)-18,18-dimethyl-16-(2-methylpropyl)-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene
  参考文献：
  名称：

  New 1,10-phenanthroline ligands for asymmetric catalysis: enantioselective palladium catalyzed allylic substitution

  摘要：

  A number of new chiral C-1-symmetric 1,10-phenathrolines have been prepared and assessed in the enantioselective palladium catalyzed allylic substitution of 1,3-diphenylprop-2-enyl acetate with dimethylmalonate. Enantioselectivities up to 84% were obtained. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00279-1
• 作为产物：
  描述：

  二环[3.1.1]庚烷-3-酮,6,6-二甲基-2-亚甲基-,(1S,5S)- 在 palladium on activated charcoal ammonium acetate 、 溶剂黄146 、 萘烷 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 生成 (1S,17S)-18,18-dimethyl-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene
  参考文献：
  名称：

  New 1,10-phenanthroline ligands for asymmetric catalysis: enantioselective palladium catalyzed allylic substitution

  摘要：

  A number of new chiral C-1-symmetric 1,10-phenathrolines have been prepared and assessed in the enantioselective palladium catalyzed allylic substitution of 1,3-diphenylprop-2-enyl acetate with dimethylmalonate. Enantioselectivities up to 84% were obtained. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00279-1

文献信息

• New 1,10-phenanthroline ligands for asymmetric catalysis: enantioselective palladium catalyzed allylic substitution
  作者：Giorgio Chelucci、Antonio Saba

  DOI：10.1016/s0957-4166(98)00279-1

  日期：1998.8

  A number of new chiral C-1-symmetric 1,10-phenathrolines have been prepared and assessed in the enantioselective palladium catalyzed allylic substitution of 1,3-diphenylprop-2-enyl acetate with dimethylmalonate. Enantioselectivities up to 84% were obtained. (C) 1998 Elsevier Science Ltd. All rights reserved.