6-(([(2-hydroxy-3,5-dimethylphenyl)methyl](4-methylphenyl)amino)methyl)-2,4-dimethylphenol | 6642-16-6

• 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: 6-(([(2-hydroxy-3,5-dimethylphenyl)methyl](4-methylphenyl)amino)methyl)-2,4-dimethylphenol
• 英文别名: 2,2'-{[(4-Methylphenyl)imino]dimethanediyl}bis(4,6-dimethylphenol)；2-[[N-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4-methylanilino]methyl]-4,6-dimethylphenol
• CAS: 6642-16-6
• 化学式: C₂₅H₂₉NO₂
• 分子量: 375.511
• InChiKey: QRNPKJNZGYHSOB-UHFFFAOYSA-N

物化性质

• 沸点：
  570.5±50.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  正丁基膦酰二氯 、 6-(([(2-hydroxy-3,5-dimethylphenyl)methyl](4-methylphenyl)amino)methyl)-2,4-dimethylphenol 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 5.33h， 以63%的产率得到13-(4-methylphenyl)-2,4,8,10-tetramethyl-6-butyl-13,14-dihydro-12H-6λ5-dibenzo[d,i][1,3,7,2]dioxazaphosphecin-6-one
  参考文献：
  名称：

  一类新型大环膦酸酯的合成，表征和抗菌活性评估

  摘要：

  一系列新型的磷类似物大环化合物是在三乙胺存在下，于0–3的条件下，将N-取代的-[双（3,5-二甲基-2-羟基苄基）]-胺与各种二氯化磷在干燥的甲苯中缩合而成的。 50°C。评价所有标题化合物的抗微生物活性，以确定它们的功效，并有效抑制细菌和真菌的生长。通过IR，1 H，13 C，31 P-NMR，质谱研究和元素分析对标题产物的化学结构进行了表征。J.杂环化​​学。（2011）。

  DOI：

  10.1002/jhet.727
• 作为产物：
  描述：

  6,8-dimethyl-3-(4-methylphenyl)-2H,4H-benzo[e]1,3-oxazine 、 2,4-二甲基苯酚 在 癸二酸 作用下， 反应 1.0h， 生成 6-(([(2-hydroxy-3,5-dimethylphenyl)methyl](4-methylphenyl)amino)methyl)-2,4-dimethylphenol
  参考文献：
  名称：

  Cationic Ring-Opening Polymerization of 1,3-Benzoxazines: Mechanistic Study Using Model Compounds

  摘要：

  The benzoxazine monomer is used to simplify the study of the benzoxazine initiation mechanism. The HPLC retention time and the H-1 NMR spectra of crude products from the benzoxazine reaction are compared with the results from a vast number of pure model compounds, which are synthesized based on the hypothesized mechanisms. Products involved in the process are identified, with species having benzoxazine structures, Mannich base and other components (acetal, nonacetal phenoxy structures, and methylene bridge structure). Initiation mechanisms of benzoxazine, the oxygen protonation and the nitrogen protonation, are proposed.

  DOI：

  10.1021/ma901743h

文献信息

• Cationic Ring-Opening Polymerization of 1,3-Benzoxazines: Mechanistic Study Using Model Compounds
  作者：Papinporn Chutayothin、Hatsuo Ishida

  DOI：10.1021/ma901743h

  日期：2010.5.25

  The benzoxazine monomer is used to simplify the study of the benzoxazine initiation mechanism. The HPLC retention time and the H-1 NMR spectra of crude products from the benzoxazine reaction are compared with the results from a vast number of pure model compounds, which are synthesized based on the hypothesized mechanisms. Products involved in the process are identified, with species having benzoxazine structures, Mannich base and other components (acetal, nonacetal phenoxy structures, and methylene bridge structure). Initiation mechanisms of benzoxazine, the oxygen protonation and the nitrogen protonation, are proposed.
• Synthesis, characterization, and evaluation of antimicrobial activities of a new class of macrocyclic phosphonates
  作者：G. Chandra Sekhar Reddy、A. Uma Ravi Sankar、M. Veera Narayana Reddy、C. Radha Rani、C. Suresh Reddy

  DOI：10.1002/jhet.727

  日期：2011.11

  A series of a new class of phosphorus analogue macrocycles was accomplished by condensation of N‐substituted‐[bis(3,5‐dimethyl‐2‐hydroxybenzyl)]‐amines with various phosphorus dichlorides in dry toluene in the presence of triethylamine at 0–50°C. All the title compounds were evaluated for antimicrobial activity to determine their efficacy and were effective in suppressing the growth of bacteria and

  一系列新型的磷类似物大环化合物是在三乙胺存在下，于0–3的条件下，将N-取代的-[双（3,5-二甲基-2-羟基苄基）]-胺与各种二氯化磷在干燥的甲苯中缩合而成的。 50°C。评价所有标题化合物的抗微生物活性，以确定它们的功效，并有效抑制细菌和真菌的生长。通过IR，1 H，13 C，31 P-NMR，质谱研究和元素分析对标题产物的化学结构进行了表征。J.杂环化​​学。（2011）。