2,13-dioxo-α-isosparteine | 41590-58-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 羽扇豆生物碱
• 英文名称: 2,13-dioxo-α-isosparteine
• 英文别名: 13-Keto-α-isolupanin；dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocine-2,11-dione
• CAS: 41590-58-3
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: ABWSKCJQSTXNCR-CDGCEXEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  40.62
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,13-dioxo-α-isosparteine 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以72%的产率得到13-oxo-2-thiono-α-isosparteine
  参考文献：
  名称：

  Geometry of some α-isosparteine derivatives

  摘要：

  C-13 and H-1 NMR spectra of five compounds with the a-isosparteine skeleton: a-isosparteine (2), 2-oxo-alpha-isosparteine (a-isolupanine, 4), 2,13-dioxo-alpha-isosparteinc (5), 2-tiono-alpha-isospartcine (6), and 13-oxo-2-tiono-alpha-isosparteine (7) were compared. Precise determination of the effects of ketone, lactam and thiolactam groups allowed identification of differences in the geometry of the compounds compared. Ring A of the two lactams investigated, 4 and 5, has the same or very similar geometry but is different than that in 2-oxosparteine (lupanine) while in thiolactams 6 and 7 it has the same (or very close) geometry as in 2-thionosparteine. Ketone group in position 13 in 5 and 7 causes a flattening of ring D in a similar way, and different to that in 2,13-dioxosparteine (13-oxolupanine). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.10.014

文献信息

• Wysocka, Waleria, Heterocycles, 1982, vol. 19, # 1, p. 1 - 5
  作者：Wysocka, Waleria

  DOI：——

  日期：——