2-butanoyl-3-phenylisomenthopyrazole | 524961-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-butanoyl-3-phenylisomenthopyrazole
• 英文别名: 1-[(4R,7R)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]butan-1-one
• CAS: 524961-80-6
• 化学式: C₂₁H₂₈N₂O
• 分子量: 324.466
• InChiKey: ZWHQZILVOBHZNK-NVXWUHKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-butanoyl-3-phenylisomenthopyrazole 、 碘甲烷 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 6.5h， 以28%的产率得到2-[(2S)-2-methylbutyryl]-3-phenylisomenthopyrazole
  参考文献：
  名称：

  The Preparation and Reactions of 2-Acyl-3-phenylisomenthopyrazole

  摘要：

  3-Phenylisomenthopyrazole (4) was useful as a chiral auxiliary, though the diastereomeric selectivity was lower than those of 3-phenyl-l-menthopyrazole (1a). In alpha-acylation and the Diels-Alder cycloaddition, the absolute configuration of the predominant products was different from that of the products using 1a.

  DOI：

  10.3987/com-02-s26
• 作为产物：
  描述：

  (3R,6R)-2-benzoyl-3-methyl-6-isopropylcyclohexanone 在 盐酸肼 、 一水合肼 、 三乙胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 6.0h， 生成 2-butanoyl-3-phenylisomenthopyrazole
  参考文献：
  名称：

  The Preparation and Reactions of 2-Acyl-3-phenylisomenthopyrazole

  摘要：

  3-Phenylisomenthopyrazole (4) was useful as a chiral auxiliary, though the diastereomeric selectivity was lower than those of 3-phenyl-l-menthopyrazole (1a). In alpha-acylation and the Diels-Alder cycloaddition, the absolute configuration of the predominant products was different from that of the products using 1a.

  DOI：

  10.3987/com-02-s26

文献信息

• The Preparation and Reactions of 2-Acyl-3-phenylisomenthopyrazole
  作者：Choji Kashima、Yohei Miwa、Takeshi Yokawa、Saori Shibata

  DOI：10.3987/com-02-s26

  日期：——

  3-Phenylisomenthopyrazole (4) was useful as a chiral auxiliary, though the diastereomeric selectivity was lower than those of 3-phenyl-l-menthopyrazole (1a). In alpha-acylation and the Diels-Alder cycloaddition, the absolute configuration of the predominant products was different from that of the products using 1a.