[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol | 372190-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
• 英文别名: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol
• CAS: 372190-27-7
• 化学式: C₁₄H₁₂N₂OS
• mdl: MFCD01909759
• 分子量: 256.328
• InChiKey: VXPKOZBAZPODMY-UHFFFAOYSA-N

物化性质

• 沸点：
  460.6±40.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  66.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 以76%的产率得到4-Chloromethyl-1-phenyl-3-thiophen-2-yl-1H-pyrazole
  参考文献：
  名称：

  摘要：

  3-Aryl(heteryl)pyrazole-4-carbaldehydes were reduced with sodium tetrahydridoborate under mild conditions to give 3-aryl(heteryl)-4-hydroxymethylpyrazoles which were converted into the corresponding 4-chloromethyl derivatives by treatment with thionyl chloride. The subsequent reaction with triphenylphosphine led to formation of triphenyl(4-pyrazolylmethyl)phosphonium chlorides, and Wittig reaction of the latter with aromatic or heteroaromatic aldehydes yielded 4-[2-aryl(heteryl)ethenyl]pyrazoles.

  DOI：

  10.1023/a:1016346528487
• 作为产物：
  描述：

  1-苯基-3-(2-噻吩基)-1H-吡唑-4-甲醛 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以87%的产率得到[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
  参考文献：
  名称：

  摘要：

  3-Aryl(heteryl)pyrazole-4-carbaldehydes were reduced with sodium tetrahydridoborate under mild conditions to give 3-aryl(heteryl)-4-hydroxymethylpyrazoles which were converted into the corresponding 4-chloromethyl derivatives by treatment with thionyl chloride. The subsequent reaction with triphenylphosphine led to formation of triphenyl(4-pyrazolylmethyl)phosphonium chlorides, and Wittig reaction of the latter with aromatic or heteroaromatic aldehydes yielded 4-[2-aryl(heteryl)ethenyl]pyrazoles.

  DOI：

  10.1023/a:1016346528487

文献信息

• Methods and Compositions for the Treatment of RAS Associated Disorders
  申请人：Ratner Nancy

  公开号：US20120302581A1

  公开（公告）日：2012-11-29

  The instant disclosure relates to compositions that may be useful as therapeutic agents for the treatment of disorders associated or caused by Ras deregulation or dysregulation, for example, disorders associated with alterations in the NF1 gene such as neurofibromatosis type I, fungal infections such as those caused by Candida albicans , and proliferative disorders such as glioblastoma.
• ——
  作者：M. K. Bratenko、V. A. Chornous、M. V. Vovk

  DOI：10.1023/a:1016346528487

  日期：——

  3-Aryl(heteryl)pyrazole-4-carbaldehydes were reduced with sodium tetrahydridoborate under mild conditions to give 3-aryl(heteryl)-4-hydroxymethylpyrazoles which were converted into the corresponding 4-chloromethyl derivatives by treatment with thionyl chloride. The subsequent reaction with triphenylphosphine led to formation of triphenyl(4-pyrazolylmethyl)phosphonium chlorides, and Wittig reaction of the latter with aromatic or heteroaromatic aldehydes yielded 4-[2-aryl(heteryl)ethenyl]pyrazoles.