3-[(4-methylbenzylidene)amino]phenol | 23837-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4-methylbenzylidene)amino]phenol
• 英文别名: 4MBAP；p-Methylbenzyliden-m-hydroxyanilin
• CAS: 23837-33-4
• 化学式: C₁₄H₁₃NO
• 分子量: 211.263
• InChiKey: LCYCOFVIHDXTMY-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 、 3-氨基苯酚 以 乙醇 为溶剂， 反应 5.0h， 以1.9 g的产率得到3-[(4-methylbenzylidene)amino]phenol
  参考文献：
  名称：

  Synthesis, Experimental and Theoretical Studies by DFT on Molecular, Electronic, IR, NMR Analysis of 3-[(4-Methylbenzylidene)amino]phenol

  摘要：

  Synthesis and structural characterization by physical constants, IR, NMR and UV study of 3-[(4-methylbenzylidene)amino]phenol (4MBAP) was carried out. In order to present a full description, DFT calculations were carried out using B3LYP/6-31G(d,p) to obtain geometry, vibrational frequency and NMR data. The theoretical electronic spectra have been calculated by using CIS method. NBO analysis of 3-[(4-methylbenzylidene)amino]phenol was carried out. The observed and theoretical IR data of 3-[(4-methylbenzylidene)amino]phenol are compared. The FT-IR spectrum of the title compound was recorded in solid phase.

  DOI：

  10.14233/ajchem.2013.13149