Methanamine, N-(9-anthracenylmethylene)-, (E)- | 35365-48-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Methanamine, N-(9-anthracenylmethylene)-, (E)-
• 英文别名: (E)-N-(9-Anthrylmethylene)methanamine；N-(9-anthrylmethylidene)methylamine；N-(9-Anthryliden)-methyl-amin
• CAS: 35365-48-1
• 化学式: C₁₆H₁₃N
• 分子量: 219.286
• InChiKey: QVOPMMYVWNASOS-GZTJUZNOSA-N

物化性质

• 沸点：
  406.6±14.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  Methanamine, N-(9-anthracenylmethylene)-, (E)- 、 硼氢化钠 以86%的产率得到
  参考文献：
  名称：

  HAHN W. E.; SZALECKI W.; BOSZCZYK W., POL. J. CHEM., 1978, 52, NO 12, 2497-2499

  摘要：

  DOI：
• 作为产物：
  描述：

  9-蒽甲醛 、 甲胺 以 乙醇 、 甲苯 为溶剂， 生成 Methanamine, N-(9-anthracenylmethylene)-, (E)-
  参考文献：
  名称：

  Nitrogen-14 NMR and x-ray single crystal study of the Schiff base, N-(9-anthrylmethylidene)methylamine

  摘要：

  The Schiff base N-(9-anthrylmethylidene)methylamine has been characterized by X-ray crystallography. The compound crystallizes in the P2(1) (No. 4) space group, and the crystal structure shows that it is the E-isomer. The Schiff base linkage is twisted 56.1-degrees out of the anthracene plane. The principal values of the N-14 quadrupolar tensor, along with its orientation with respect to the molecular frame, have been determined from the single crystal study of the Schiff base. The quadrupolar coupling constant (QCC) is 4.076 MHz with an asymmetry parameter of 0.24. The unique element of the electric field gradient tensor is in the direction of the nitrogen lone pair.

  DOI：

  10.1021/j100135a015

文献信息

• [EN] OXAZA HETEROCYCLIC COMPOUNDS FOR PHOTOTHERAPY<br/>[FR] COMPOSÉS OXAZA HÉTÉROCYCLIQUES POUR PHOTOTHÉRAPIE
  申请人：MALLINCKRODT INC

  公开号：WO2010132547A2

  公开（公告）日：2010-11-18

  The invention relates generally to optical agents, including phototherapeutic agents, for biomedical applications, including phototherapy. The invention includes optical agents, and related therapeutic methods, comprising oxaza compounds, including 1,2 oxaza heterocyclic compounds, having a photolabile N-O bond directly or indirectly linked to at least one carbocyclic aromatic and/or heterocyclic aromatic group. In some embodiments, for example, the invention provides oxaza compounds, such as oxazolines and isoxazolidines, for phototherapeutic methods having a photolabile N-O bond that undergoes photoactivated cleavage to produce reactive species, such as radicals, ions, etc., that achieve a desired therapeutic effect, such as selective and/or localized tissue damage and/or cell death.