2'-acetyl-2',3',4',9'-tetrahydrospirocyclohexane-1,1'-(1H)pyrido<3,4-b>indole | 80616-05-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 2'-acetyl-2',3',4',9'-tetrahydrospirocyclohexane-1,1'-(1H)pyrido<3,4-b>indole
• 英文别名: acetylkomavine；2'-acetyl-2',3',4',9'-tetrahydrospirocyclohexane-1,1'-(1H)pyrido[3,4-b]indole；1-spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-ylethanone
• CAS: 80616-05-3
• 化学式: C₁₈H₂₂N₂O
• 分子量: 282.385
• InChiKey: HXFBZGFKNBZLNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  36.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2'-acetyl-2',3',4',9'-tetrahydrospirocyclohexane-1,1'-(1H)pyrido<3,4-b>indole 在 盐酸 作用下， 反应 2.0h， 以0.038 g的产率得到2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrido[3,4-b]indole]
  参考文献：
  名称：

  摘要：

  Two new alkaloids, komavine (1) and acetylkomavine (2) were isolated for the first time from the aerial part of Nitraria komarovii. Their H-1 and C-13 NMR spectra were studied. Komavine was synthesized by condensation of tryptamine with cyclohexanone. These same alkaloids were also isolated from Nitraria schoberi.

  DOI：

  10.1023/a:1017606727632
• 作为产物：
  描述：

  色胺 在 三乙胺 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 反应 75.0h， 生成 2'-acetyl-2',3',4',9'-tetrahydrospirocyclohexane-1,1'-(1H)pyrido<3,4-b>indole
  参考文献：
  名称：

  Bobowski, George, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1179 - 1187

  摘要：

  DOI：

文献信息

• BOBOWSKI, G., J. HETEROCYCL. CHEM., 1981, 18, N 6, 1179-1187
  作者：BOBOWSKI, G.

  DOI：——

  日期：——
• ——
  作者：T. S. Tulyaganov、O. M. Nazarov、M. G. Levkovich、N. D. Abdullaev

  DOI：10.1023/a:1017606727632

  日期：——

  Two new alkaloids, komavine (1) and acetylkomavine (2) were isolated for the first time from the aerial part of Nitraria komarovii. Their H-1 and C-13 NMR spectra were studied. Komavine was synthesized by condensation of tryptamine with cyclohexanone. These same alkaloids were also isolated from Nitraria schoberi.
• Bobowski, George, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1179 - 1187
  作者：Bobowski, George

  DOI：——

  日期：——