9-imino-10-methylacridane | 5291-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-imino-10-methylacridane
• 英文别名: 10-methyl-9-acridinimine；9-imino-10-methylacridan；10-methyl-10H-acridin-9-ylideneamine；10-methyl-10H-acridin-9-one-imine；10-Methyl-10H-acridin-9-on-imin；5-Imino-10-methylacridan；9(10H)-Acridinimine, 10-methyl-；10-methylacridin-9-imine
• CAS: 5291-44-1
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: SQFZLHHJWJODCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  27.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  9-imino-10-methylacridane 在 sodium acetate 、 dinitrogen tetraoxide 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Intramolecular conversion of N-nitrosoketimines into ketones and nitrogen. 1,2,3-Oxadiazetines as analogs of dioxetanes

  摘要：

  DOI：

  10.1021/jo00136a016
• 作为产物：
  描述：

  氨基吖啶 在 硝基苯 作用下， 生成 9-imino-10-methylacridane
  参考文献：
  名称：

  32.一些5-氨基ac啶的乙酰化

  摘要：

  DOI：

  10.1039/jr9460000115

文献信息

• 123. The nature of the amino-group in aminoacridines. Part II. Evidence from chemical reactions
  作者：Adrien Albert、Bruce Ritchie

  DOI：10.1039/jr9430000458

  日期：——
• IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
  作者：Janusz Rak、Karol Krzymiński、Piotr Skurski、Ludwika Jóźwiak、Jerzy Blażejowski

  DOI：10.1016/s0022-2860(98)00530-4

  日期：1999.2

  Four N-methyl substituted derivatives of amino or imino forms of 9-acridinamine were synthesized and subjected to detailed IR-Raman and NMR (H-1 and C-13) investigations. Harmonic frequencies predicted at the density functional (DFT) level enabled certain modes to be assigned to bands in IR or Raman spectra and those characteristic of either the amino or imino tautomeric forms of 9-acridinamine. Theoretical H-1 and C-13 chemical shifts, particularly the latter, fit the relevant NMR spectra only qualitatively; both demonstrate a unique pattern for each of the compounds studied. The derivatives examined seem to exhibit their own identity and features, reflected in unique vibrational and NMR spectra, rather than retain those of the parent tautomeric forms of 9-acridinamine. Both experimental and theoretical investigations reveal that two tautomeric forms of N-methyl-9-acridinamine, in similar to 9-acridinamine, should co-exist at room temperature. The polarity of the compounds, expressed by dipole moments, as well as distribution of relative atomic partial charges and electrostatic potential around the molecules, are unique for each of the compounds but generally similar in the groups of derivatives originating from the amino or imino tautomers of 9-acridinamine. (C) 1999 Elsevier Science B.V. All rights reserved.
• Horowska, Barbara; Ledochowski, Andrzej; Dlugozima, Andrzej, Polish Journal of Chemistry, 1982, vol. 56, # 3, p. 587 - 592
  作者：Horowska, Barbara、Ledochowski, Andrzej、Dlugozima, Andrzej

  DOI：——

  日期：——
• WHITE, E. H.;WILSON, A. A.;ANHALT, J. P.;BAUMGARTEN, R. J.;CHOCA, J. I., J. ORG. CHEM., 1982, 47, N 15, 2892-2896
  作者：WHITE, E. H.、WILSON, A. A.、ANHALT, J. P.、BAUMGARTEN, R. J.、CHOCA, J. I.

  DOI：——

  日期：——
• HOROWSKA, B.;LEDOCHOWSKI, A.;DLUGOZIMA, A., POL. J. CHEM., 1982, 56, N 3, 587-592
  作者：HOROWSKA, B.、LEDOCHOWSKI, A.、DLUGOZIMA, A.

  DOI：——

  日期：——