2,3,11,12-tetramethoxy-4b,5,9,13b,15,16-hexahydro-8H-pyrimido[2,1-a;4,3-a']diisoquinoline-6-one | 53009-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2,3,11,12-tetramethoxy-4b,5,9,13b,15,16-hexahydro-8H-pyrimido[2,1-a;4,3-a']diisoquinoline-6-one
• 英文别名: 5,6,17,18-Tetramethoxy-1,11-diazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-3,5,7,15,17,19-hexaen-12-one；5,6,17,18-tetramethoxy-1,11-diazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-3,5,7,15,17,19-hexaen-12-one
• CAS: 53009-06-6
• 化学式: C₂₄H₂₈N₂O₅
• 分子量: 424.497
• InChiKey: ORNMMKUVRLJOMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6,7-二甲氧基-3,4-二氢异喹啉 、 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， 反应 54.0h， 以16%的产率得到2,3,11,12-tetramethoxy-4b,5,9,13b,15,16-hexahydro-8H-pyrimido[2,1-a;4,3-a']diisoquinoline-6-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

文献信息

• Reaction of chromium carbene complexes with imines. Synthesis of .beta.-lactams
  作者：Louis S. Hegedus、Michael A. McGuire、Lisa M. Schultze、Yijun Chen、Oren P. Anderson

  DOI：10.1021/ja00321a032

  日期：1984.5
• 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.