2-<2-(4-methoxyphenyl)hydroxymethylphenyl>-4,4-dimethyloxazoline | 51933-46-1

• 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: 2-<2-(4-methoxyphenyl)hydroxymethylphenyl>-4,4-dimethyloxazoline
• 英文别名: 2-<2-hydroxy(4-methoxyphenyl)methylphenyl>-4,4-dimethyl-2-oxazoline；[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-(4-methoxy-phenyl)-methanol；[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(4-methoxyphenyl)methanol
• CAS: 51933-46-1
• 化学式: C₁₉H₂₁NO₃
• 分子量: 311.381
• InChiKey: LZUBWIDUELYCLH-UHFFFAOYSA-N

物化性质

• 沸点：
  483.3±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  51.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-<2-(4-methoxyphenyl)hydroxymethylphenyl>-4,4-dimethyloxazoline 在 吡啶 、 三氯氧磷 作用下， 反应 14.0h， 以35%的产率得到3-(2-chloro-1,1-dimethylethylimino)-1-p-methoxyphenyl-1,3-dihydro-2-benzofuran
  参考文献：
  名称：

  Dordor, Isabelle M.; Mellor, John M.; Kennewell, Peter D., Journal of the Chemical Society. Perkin transactions I, 1984, # 6, p. 1253 - 1258

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 1-bromo-2-(4,4-dimethyl-3,4-dihydrooxazol-2-yl)phenylmagnesium bromide 以 四氢呋喃 为溶剂， 生成 2-<2-(4-methoxyphenyl)hydroxymethylphenyl>-4,4-dimethyloxazoline
  参考文献：
  名称：

  Oxazolines. XI. Synthesis of functionalized aromatic and aliphatic acids. Useful protecting group for carboxylic acids against Grignard and hydride reagents

  摘要：

  DOI：

  10.1021/jo00932a024

文献信息

• Reaction of oxazolines with phosphorus oxychloride
  作者：Isabelle M. Dordor、John M. Mellor、Peter D. Kennewell

  DOI：10.1016/s0040-4039(00)81676-7

  日期：1983.1

  Reaction of Oxazolines with phosphorus oxychloride in pyridine gives nitriles and the value of the procedure is shown for substituted oxazolines obtained via addition of ortho-lithiated oxazolines to aldehydes and ketones.

  恶唑啉与吡啶中的三氯氧化磷反应生成腈，并且该程序的值显示了通过将邻甲硅烷基恶唑啉添加至醛和酮中而获得的取代的恶唑啉。
• Synthesis and Structure−Activity Relationships of Sweet 2-Benzoylbenzoic Acid Derivatives
  作者：Anna Arnoldi、Angela Bassoli、Gigliola Borgonovo、Lucio Merlini、Gabriella Morini

  DOI：10.1021/jf960755i

  日期：1997.6.1

  Twenty-four analogues of the sweet compound 2-(4-methoxybenzoyl)benzoic acid 1 were synthesized and tasted. The structure-sweet taste relationships were studied by means of principal component analysis and by comparison with the existing sweet receptor models. Three possible glucophores were identified, which could correspond to the sites B, E1, and E2 of the Tinti-Nofre model. Some similarities between this class of compounds and isovanillic sweeteners were found.
• Dordor, Isabelle M.; Mellor, John M.; Kennewell, Peter D., Journal of the Chemical Society. Perkin transactions I, 1984, # 6, p. 1247 - 1252
  作者：Dordor, Isabelle M.、Mellor, John M.、Kennewell, Peter D.

  DOI：——

  日期：——
• DORDOR, I. M.;MELLOR, J. M.;KENNEWELL, P. D., J. CHEM. SOC. PERKIN TRANS., 1984, N 6, 1247-1252
  作者：DORDOR, I. M.、MELLOR, J. M.、KENNEWELL, P. D.

  DOI：——

  日期：——