4,5-Dimethoxy-10,16-diazatricyclo[8.8.0.02,7]octadeca-2,4,6-triene-11,17-dione | 211426-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4,5-Dimethoxy-10,16-diazatricyclo[8.8.0.02,7]octadeca-2,4,6-triene-11,17-dione
• 英文别名: 4,5-dimethoxy-10,16-diazatricyclo[8.8.0.02,7]octadeca-2,4,6-triene-11,17-dione
• CAS: 211426-79-8
• 化学式: C₁₈H₂₄N₂O₄
• 分子量: 332.4
• InChiKey: LOQUBHQXYYRNCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  585.470±50.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.237±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-Dimethoxy-10,16-diazatricyclo[8.8.0.02,7]octadeca-2,4,6-triene-11,17-dione 在 platinum(IV) oxide 氢气 作用下， 以 乙醚 、 xylene 为溶剂， 反应 54.0h， 生成 8,9-Dimethoxy-2,3,4,4a,5,6,10b,11-octahydro-1H-4b,12a-diaza-chrysen-12-one
  参考文献：
  名称：

  Synthesis and stereochemistry of 8,13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one and d-homo derivatives

  摘要：

  From the condensation reaction of O-methylbutyrolactim (2), O-methylvalerolactim (3), O-methylcaprolactim (4) and O-methyl-4-t-butylcaprolactim (5) with ethyl 6, 7-dimethoxy-alpha-[1-(1,2,3,4-tetrahydro-isoquinolyl)]acetate (1), 8, 13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one (6) D-homo-derivatives (7-9), and medium-sized ring cyclic diamides (10,11) were obtained The stereoselective reduction of compounds 6-9 by Adam's platinum catalyst afforded 8, 13-diaza-2,3-dimethoxygona-1,3,5(10)-trien-12-one (12) and its D-homo derivatives (13-15). The structures of the compounds obtained were established by NMR and X-my crystallographic analyses. (C) 1998 by Elsevier Science Inc.

  DOI：

  10.1016/s0039-128x(98)00011-7
• 作为产物：
  描述：

  6-甲氧基-2,3,4,5-四氢吡啶 、 1-乙氧羰基-6,7-二甲氧基-1,2,3,4-四氢异喹啉 以 xylene 为溶剂， 以34%的产率得到4,5-Dimethoxy-10,16-diazatricyclo[8.8.0.02,7]octadeca-2,4,6-triene-11,17-dione
  参考文献：
  名称：

  Synthesis and stereochemistry of 8,13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one and d-homo derivatives

  摘要：

  From the condensation reaction of O-methylbutyrolactim (2), O-methylvalerolactim (3), O-methylcaprolactim (4) and O-methyl-4-t-butylcaprolactim (5) with ethyl 6, 7-dimethoxy-alpha-[1-(1,2,3,4-tetrahydro-isoquinolyl)]acetate (1), 8, 13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one (6) D-homo-derivatives (7-9), and medium-sized ring cyclic diamides (10,11) were obtained The stereoselective reduction of compounds 6-9 by Adam's platinum catalyst afforded 8, 13-diaza-2,3-dimethoxygona-1,3,5(10)-trien-12-one (12) and its D-homo derivatives (13-15). The structures of the compounds obtained were established by NMR and X-my crystallographic analyses. (C) 1998 by Elsevier Science Inc.

  DOI：

  10.1016/s0039-128x(98)00011-7

文献信息

• Synthesis and stereochemistry of 8,13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one and d-homo derivatives
  作者：György Göndös、Lajos Gera、Gábor Tóth、Alajos Kálmán、John Bridson

  DOI：10.1016/s0039-128x(98)00011-7

  日期：1998.7

  From the condensation reaction of O-methylbutyrolactim (2), O-methylvalerolactim (3), O-methylcaprolactim (4) and O-methyl-4-t-butylcaprolactim (5) with ethyl 6, 7-dimethoxy-alpha-[1-(1,2,3,4-tetrahydro-isoquinolyl)]acetate (1), 8, 13-diaza-2,3-dimethoxygona-1,3,5(10),9(11)-tetraen-12-one (6) D-homo-derivatives (7-9), and medium-sized ring cyclic diamides (10,11) were obtained The stereoselective reduction of compounds 6-9 by Adam's platinum catalyst afforded 8, 13-diaza-2,3-dimethoxygona-1,3,5(10)-trien-12-one (12) and its D-homo derivatives (13-15). The structures of the compounds obtained were established by NMR and X-my crystallographic analyses. (C) 1998 by Elsevier Science Inc.