(3,5-dimethyl-isoxazol-4-yl)-phenyl-methanol | 39511-14-3

• 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: (3,5-dimethyl-isoxazol-4-yl)-phenyl-methanol
• 英文别名: Phenyl-<3.5-dimethyl-isoxazolyl-(4)>-carbinol；Phenyl-(3.5-dimethyl-isoxazolyl-4)-carbinol；(3,5-Dimethyl-4-isoxazol)-phenylcarbinol；(3,5-dimethyl-1,2-oxazol-4-yl)-phenylmethanol
• CAS: 39511-14-3
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: RZHSEELJPXENBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  53-54 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• 沸点：
  140 °C(Press: 0.3 Torr)
• 密度：
  1.1478 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.26
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3,5-dimethyl-isoxazol-4-yl)-phenyl-methanol 在 potassium chromate 、 硫酸 作用下， 反应 5.0h， 生成 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylethane-1,2-diol
  参考文献：
  名称：

  Photochemistry of 4-acylisoxazoles

  摘要：

  DOI：

  10.1021/jo00300a013
• 作为产物：
  描述：

  3,5-二甲基异唑 在 盐酸 、 lead(II) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 35.0h， 生成 (3,5-dimethyl-isoxazol-4-yl)-phenyl-methanol
  参考文献：
  名称：

  Kochetkov,N.K. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 3641 - 3646

  摘要：

  DOI：

文献信息

• Design, synthesis, and structure–activity relationships of pyrazolo[3,4-d]pyrimidines: a novel class of potent enterovirus inhibitors
  作者：Jyh-Haur Chern、Kak-Shan Shia、Tsu-An Hsu、Chia-Liang Tai、Chung-Chi Lee、Yen-Chun Lee、Chih-Shiang Chang、Sung-Nien Tseng、Shin-Ru Shih

  DOI：10.1016/j.bmcl.2004.02.092

  日期：2004.5

  A series of pyrazolo[3,4-d]pyrimidines were synthesized. and their antiviral activity was evaluated in a plaque reduction assay. It is very interesting that this class of compounds provide remarkable evidence that they are very specific for human enteroviruses, in particular, coxsackieviruses. Some derivatives proved to be highly effective in inhibiting enterovirus replication at nanomolar concentrations. SAR studies revealed that the phenyl group at the N-I position and the hydrophobic diarylmethyl group at the piperazine largely influenced the in vitro antienteroviral activity of this new class of potent antiviral agents. It was found that the pyrazolo[3,4-d]pyrimidines with a thiophene substituent, such as compounds 20 24, in general exhibited high activity against coxsackievirus B3 (IC50 = 0.063-0.089 muM) and moderate activity against enterovirus 71 (IC50 = 0.32-0.65 muM) with no apparent cytotoxic effect toward RD (rhabdomyosarcoma) cell lines (CC50>25 muM). (C) 2004 Elsevier Ltd. All rights reserved.
• Notes - Synthesis of Heterocyclic Aminoethers Related to Diphenyhydramine
  作者：Paul Craig、Michael Olmsted

  DOI：10.1021/jo01356a601

  日期：1957.5
• Kochetkov,N.K. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 3641 - 3646
  作者：Kochetkov,N.K. et al.

  DOI：——

  日期：——
• Photochemistry of 4-acylisoxazoles
  作者：Ronald R. Sauers、L. M. Hadel、A. A. Scimone、T. A. Stevenson

  DOI：10.1021/jo00300a013

  日期：1990.6