(2R,3R)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2R,3R)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one
• 英文别名: (2R,3R)-2-methyl-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-3-phenylsulfanylbutan-1-one
• 化学式: C₂₈H₃₄N₂OS
• 分子量: 446.657
• InChiKey: IUEONDMREDACST-WHLIWEHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯硫酚 、 (E)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-but-2-en-1-one 在 TEA 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (2S,3S)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one 、 (2S,3R)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one 、 (2R,3S)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one 、 (2R,3R)-1-((4R,7S)-7-Isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-indazol-2-yl)-2-methyl-3-phenylsulfanyl-butan-1-one
  参考文献：
  名称：

  Diastereomeric Preparation of a- and b-Phenylthio Substituted N-Acylpyrazoles

  摘要：

  When 3-phenyl-l-menthopyrazole was used as a chiral auxiliary, the diastereomeric preparation of alpha- and beta-phenylthio-substituted N-acylpyrazoles (4 and 9) was accomplished in high yield by the alpha-sulfenylation using diphenyl disulfide and the conjugate addition of thiophenol, respectively.

  DOI：

  10.3987/com-95-s14