[3-(3-Bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol | 372190-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [3-(3-Bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol
• 英文别名: (3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol；[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methanol
• CAS: 372190-36-8
• 化学式: C₁₆H₁₃BrN₂O
• 分子量: 329.196
• InChiKey: YMPVGVPGXDITGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [3-(3-Bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 以85%的产率得到3-(3-Bromo-phenyl)-4-chloromethyl-1-phenyl-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：

  3-(3-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以87%的产率得到[3-(3-Bromo-phenyl)-1-phenyl-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