2-[(3-甲氧基苯胺基)甲基]苯酚 | 90383-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(3-甲氧基苯胺基)甲基]苯酚
• 英文名称: N-m-methoxyphenyl-N-2-hydroxybenzylamine
• 英文别名: 2-((3-methoxyphenylamino)methyl)phenol；2-{[(3-Methoxyphenyl)amino]methyl}phenol；2-[(3-methoxyanilino)methyl]phenol
• CAS: 90383-17-8
• 化学式: C₁₄H₁₅NO₂
• mdl: MFCD00088025
• 分子量: 229.279
• InChiKey: RPTNQPWTZCSQDB-UHFFFAOYSA-N

物化性质

• 熔点：
  70.5 °C
• 沸点：
  401.1±30.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  2-[(3-甲氧基苯胺基)甲基]苯酚 在 tetraphosphorus decasulfide 、 三乙胺 、 sodium hydroxide 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 、 苯 为溶剂， 反应 6.0h， 生成 4-(3-methoxyphenyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thione
  参考文献：
  名称：

  Synthesis and structure–antibacterial activity relationship studies of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones

  摘要：

  The synthesis and characterization of a series of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones were presented. Preliminary in vitro antimicrobial activity of the compounds was assessed against a panel of microorganisms including S. aureus, E. faecalis, P. aeruginosa, E. coli, and C. albicans. Some of the compounds exhibited significantly in vitro antimicrobial activity. The pMIC values were correlated with physicochemical descriptors: Hammett substituent constants (sigma (m) and sigma (p) ) and the lipophilic constant (pi). One statistical significant 2D-QSAR model was obtained with para-substituted compounds. The pMIC values were also correlated with some theoretical descriptors as independent variables and four statistical significant 2D-QSAR models were also obtained with meta-substituted compounds.

  DOI：

  10.1007/s00044-010-9457-4
• 作为产物：
  描述：

  Phenol, 2-[[(3-methoxyphenyl)imino]methyl]- 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 1.0h， 以68%的产率得到2-[(3-甲氧基苯胺基)甲基]苯酚
  参考文献：
  名称：

  Synthesis and structure–antibacterial activity relationship studies of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones

  摘要：

  The synthesis and characterization of a series of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones were presented. Preliminary in vitro antimicrobial activity of the compounds was assessed against a panel of microorganisms including S. aureus, E. faecalis, P. aeruginosa, E. coli, and C. albicans. Some of the compounds exhibited significantly in vitro antimicrobial activity. The pMIC values were correlated with physicochemical descriptors: Hammett substituent constants (sigma (m) and sigma (p) ) and the lipophilic constant (pi). One statistical significant 2D-QSAR model was obtained with para-substituted compounds. The pMIC values were also correlated with some theoretical descriptors as independent variables and four statistical significant 2D-QSAR models were also obtained with meta-substituted compounds.

  DOI：

  10.1007/s00044-010-9457-4

文献信息

• Tharikoppula, Giri; Eppakayala, Laxminarayana; Bucha, Mallaiah, Indian Journal of Heterocyclic Chemistry, 2016, vol. 25, # 3-4, p. 189 - 192
  作者：Tharikoppula, Giri、Eppakayala, Laxminarayana、Bucha, Mallaiah

  DOI：——

  日期：——
• Oxidative Dehydrogenation of Cu(II) Complexes with N-Aryl-N-2-hydroxybenzyl- and N-Aryl-N-2-hydroxynaphthylmethyleneamine Derivatives
  作者：V. G. Usatyuk、A. A. Medzhidov、A. Aydin、B. Yalchin、R. A. Manafova

  DOI：10.1023/b:ruco.0000040725.54156.bb

  日期：2004.9

  The reactions of Cu2+ Cu2+, and Ni2+ ions with N-phenyl-N-2-hydroxybenzyl- and N-phenyl-N-2-hydroxynaphthylmethyleneamine derivatives (HLn, n = 1-8) produced from the derivatives of aniline and aromatic o-hydroxyaldehydes are studied. Among the ions studied, only Cu2+ forms stable complexes Cu(L-n)2 . 2H(2)O. The structures of the synthesized compounds are studied by IR, UV, and EPR spectroscopies and differential thermal analysis. The magnetic moments of the Cu(L-n)(2) . 2H(2)O complexes are very small and range within 0.43-1.19 mu(B), depending on the ligand structure, which indicates a strong antiferromagnetic interaction between the Cu2+ ions. The temperature dependence of the magnetic susceptibility measured for the Cu(L-3)(2) . 2H(2)O complex (where HL3 is N-4-methoxyphenyl-N-2-hydroxybenzylamine) is closest to the theoretical curve calculated for the binuclear Cu(II) complexes connected by the intermolecular exchange interaction. The Cu(II) complexes with HLn are shown to undergo oxidative dehydrogenation to form the corresponding metal salicylaldiminates. This reaction can occur on heating in the absence of oxygen and is accompanied by the Cu2+ --> Cu+ transition.
• Synthesis and structure–antibacterial activity relationship studies of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones
  作者：Hikmet Agirbas、Berat Kemal、Fatma Budak

  DOI：10.1007/s00044-010-9457-4

  日期：2011.11

  The synthesis and characterization of a series of 4-substituted phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thiones were presented. Preliminary in vitro antimicrobial activity of the compounds was assessed against a panel of microorganisms including S. aureus, E. faecalis, P. aeruginosa, E. coli, and C. albicans. Some of the compounds exhibited significantly in vitro antimicrobial activity. The pMIC values were correlated with physicochemical descriptors: Hammett substituent constants (sigma (m) and sigma (p) ) and the lipophilic constant (pi). One statistical significant 2D-QSAR model was obtained with para-substituted compounds. The pMIC values were also correlated with some theoretical descriptors as independent variables and four statistical significant 2D-QSAR models were also obtained with meta-substituted compounds.